Natural Product: NPC182222

Natural Product ID:  NPC182222
Common Name:   4-Hydroxy-1-Methoxycarbonyl-Beta-Carboline
IUPAC Name:   methyl 4-hydroxy-9H-pyrido[3,4-b]indole-1-carboxylate
Synonyms:  
Molecular Formula:   C13H10N2O3
Standard InCHIKey:  SRJGEVLILAHFEY-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H10N2O3/c1-18-13(17)12-11-10(9(16)6-14-12)7-4-2-3-5-8(7)15-11/h2-6,15-16H,1H3
Canonical SMILES:  COC(=O)c1ncc(c2c1[nH]c1c2cccc1)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO8372 Picrasma quassioides Species Simaroubaceae Eukaryota PMID[19586051]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 41.7 % 18183025
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 60 % 23398362
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 69.2 % 19548690
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 55.6 % 18955522
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 62.3 % 18625771
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 45.7 % PubChem BioAssay data set

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC182222 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.8889 High Similarity NPC266249
0.8874 High Similarity NPC148889
0.8853 High Similarity NPC260434
0.8804 High Similarity NPC123839
0.8565 High Similarity NPC74360
0.8558 High Similarity NPC27041
0.8493 Intermediate Similarity NPC122436
0.8462 Intermediate Similarity NPC258048
0.8372 Intermediate Similarity NPC118940
0.8341 Intermediate Similarity NPC8022
0.8341 Intermediate Similarity NPC470799
0.834 Intermediate Similarity NPC53534
0.824 Intermediate Similarity NPC91868
0.824 Intermediate Similarity NPC63971
0.8235 Intermediate Similarity NPC60621
0.823 Intermediate Similarity NPC207686
0.8199 Intermediate Similarity NPC19872
0.8166 Intermediate Similarity NPC15801
0.8133 Intermediate Similarity NPC152620
0.8131 Intermediate Similarity NPC132539
0.8128 Intermediate Similarity NPC165964
0.8087 Intermediate Similarity NPC235685
0.8082 Intermediate Similarity NPC89508
0.808 Intermediate Similarity NPC229893
0.807 Intermediate Similarity NPC279189
0.807 Intermediate Similarity NPC200553
0.8065 Intermediate Similarity NPC185782
0.8052 Intermediate Similarity NPC101350
0.8047 Intermediate Similarity NPC472259
0.8045 Intermediate Similarity NPC477979
0.8 Intermediate Similarity NPC97902
0.7981 Intermediate Similarity NPC476167
0.7973 Intermediate Similarity NPC312645
0.7972 Intermediate Similarity NPC193238
0.7965 Intermediate Similarity NPC162002
0.7963 Intermediate Similarity NPC470500
0.7955 Intermediate Similarity NPC26679
0.7953 Intermediate Similarity NPC57398
0.7934 Intermediate Similarity NPC192315
0.7922 Intermediate Similarity NPC174489
0.7919 Intermediate Similarity NPC476287
0.7917 Intermediate Similarity NPC165599
0.7913 Intermediate Similarity NPC196718
0.7913 Intermediate Similarity NPC102593
0.7905 Intermediate Similarity NPC138370
0.7887 Intermediate Similarity NPC141454
0.7854 Intermediate Similarity NPC171787
0.7854 Intermediate Similarity NPC26641
0.7848 Intermediate Similarity NPC322064
0.7848 Intermediate Similarity NPC178858
0.7834 Intermediate Similarity NPC476138
0.7834 Intermediate Similarity NPC245816
0.783 Intermediate Similarity NPC230403
0.7819 Intermediate Similarity NPC74619
0.7811 Intermediate Similarity NPC477549
0.7808 Intermediate Similarity NPC244741
0.7804 Intermediate Similarity NPC267928
0.7793 Intermediate Similarity NPC219087
0.7788 Intermediate Similarity NPC284678
0.7788 Intermediate Similarity NPC276657
0.7787 Intermediate Similarity NPC37152
0.7778 Intermediate Similarity NPC315491
0.7778 Intermediate Similarity NPC45459
0.7773 Intermediate Similarity NPC287208
0.7767 Intermediate Similarity NPC474916
0.7762 Intermediate Similarity NPC278434
0.7752 Intermediate Similarity NPC476098
0.7741 Intermediate Similarity NPC161801
0.7727 Intermediate Similarity NPC183777
0.7723 Intermediate Similarity NPC118228
0.7718 Intermediate Similarity NPC473800
0.7709 Intermediate Similarity NPC323969
0.7703 Intermediate Similarity NPC5145
0.7696 Intermediate Similarity NPC24370
0.7696 Intermediate Similarity NPC319232
0.7692 Intermediate Similarity NPC191415
0.7689 Intermediate Similarity NPC36405
0.7676 Intermediate Similarity NPC26543
0.7673 Intermediate Similarity NPC216369
0.7665 Intermediate Similarity NPC213530
0.7665 Intermediate Similarity NPC193267
0.7661 Intermediate Similarity NPC232727
0.7656 Intermediate Similarity NPC48938
0.7647 Intermediate Similarity NPC321428
0.7647 Intermediate Similarity NPC270918
0.7639 Intermediate Similarity NPC90229
0.7627 Intermediate Similarity NPC240384
0.7623 Intermediate Similarity NPC309845
0.7617 Intermediate Similarity NPC324149
0.7615 Intermediate Similarity NPC213308
0.7615 Intermediate Similarity NPC176538
0.7615 Intermediate Similarity NPC316224
0.7613 Intermediate Similarity NPC39679
0.7607 Intermediate Similarity NPC101543
0.7607 Intermediate Similarity NPC469554
0.7598 Intermediate Similarity NPC310118
0.7589 Intermediate Similarity NPC82370
0.7588 Intermediate Similarity NPC288987
0.7574 Intermediate Similarity NPC323752
0.7571 Intermediate Similarity NPC102755
0.7569 Intermediate Similarity NPC81535
0.7565 Intermediate Similarity NPC216612
0.7565 Intermediate Similarity NPC478141
0.7556 Intermediate Similarity NPC110182
0.7549 Intermediate Similarity NPC314222
0.7549 Intermediate Similarity NPC196449
0.7546 Intermediate Similarity NPC276517
0.7544 Intermediate Similarity NPC184408
0.7523 Intermediate Similarity NPC239954
0.7522 Intermediate Similarity NPC221100
0.7522 Intermediate Similarity NPC234078
0.7512 Intermediate Similarity NPC102592
0.7512 Intermediate Similarity NPC79356
0.7511 Intermediate Similarity NPC57453
0.75 Intermediate Similarity NPC471944
0.75 Intermediate Similarity NPC282103
0.75 Intermediate Similarity NPC295452
0.75 Intermediate Similarity NPC198673
0.75 Intermediate Similarity NPC171393
0.7489 Intermediate Similarity NPC280714
0.7489 Intermediate Similarity NPC477112
0.7489 Intermediate Similarity NPC474701
0.748 Intermediate Similarity NPC472435
0.7477 Intermediate Similarity NPC156704
0.7477 Intermediate Similarity NPC475070
0.7477 Intermediate Similarity NPC44354
0.7467 Intermediate Similarity NPC264285
0.7465 Intermediate Similarity NPC62749
0.7457 Intermediate Similarity NPC51388
0.7444 Intermediate Similarity NPC82053
0.7443 Intermediate Similarity NPC306376
0.7443 Intermediate Similarity NPC212213
0.7442 Intermediate Similarity NPC144381
0.7436 Intermediate Similarity NPC110151
0.7435 Intermediate Similarity NPC313804
0.7435 Intermediate Similarity NPC315804
0.7434 Intermediate Similarity NPC87413
0.7414 Intermediate Similarity NPC470501
0.7411 Intermediate Similarity NPC88008
0.7404 Intermediate Similarity NPC194740
0.7404 Intermediate Similarity NPC314954
0.739 Intermediate Similarity NPC472436
0.7389 Intermediate Similarity NPC167860
0.7389 Intermediate Similarity NPC123976
0.738 Intermediate Similarity NPC3207
0.7371 Intermediate Similarity NPC470502
0.7368 Intermediate Similarity NPC39500
0.7366 Intermediate Similarity NPC175602
0.7364 Intermediate Similarity NPC168911
0.7362 Intermediate Similarity NPC192712
0.7362 Intermediate Similarity NPC257851
0.7359 Intermediate Similarity NPC269270
0.7355 Intermediate Similarity NPC473312
0.7354 Intermediate Similarity NPC200836
0.7354 Intermediate Similarity NPC53144
0.7353 Intermediate Similarity NPC141053
0.735 Intermediate Similarity NPC21638
0.735 Intermediate Similarity NPC179287
0.7349 Intermediate Similarity NPC63109
0.7349 Intermediate Similarity NPC46580
0.7348 Intermediate Similarity NPC472285
0.7345 Intermediate Similarity NPC61038
0.7339 Intermediate Similarity NPC220851
0.7336 Intermediate Similarity NPC314002
0.7333 Intermediate Similarity NPC283117
0.733 Intermediate Similarity NPC18487
0.7328 Intermediate Similarity NPC14686
0.7311 Intermediate Similarity NPC474192
0.7311 Intermediate Similarity NPC475720
0.7309 Intermediate Similarity NPC211813
0.7308 Intermediate Similarity NPC470503
0.7304 Intermediate Similarity NPC330009
0.7304 Intermediate Similarity NPC288349
0.7304 Intermediate Similarity NPC469928
0.73 Intermediate Similarity NPC326363
0.7295 Intermediate Similarity NPC78609
0.7295 Intermediate Similarity NPC208522
0.729 Intermediate Similarity NPC207851
0.729 Intermediate Similarity NPC204717
0.7288 Intermediate Similarity NPC186351
0.7288 Intermediate Similarity NPC478078
0.7284 Intermediate Similarity NPC292958
0.7281 Intermediate Similarity NPC469489
0.7281 Intermediate Similarity NPC294375
0.728 Intermediate Similarity NPC473105
0.7277 Intermediate Similarity NPC125597
0.7273 Intermediate Similarity NPC469727
0.7269 Intermediate Similarity NPC174672
0.7269 Intermediate Similarity NPC267853
0.7269 Intermediate Similarity NPC174758
0.7269 Intermediate Similarity NPC315062
0.7265 Intermediate Similarity NPC16352
0.7264 Intermediate Similarity NPC248041
0.7264 Intermediate Similarity NPC126709
0.7261 Intermediate Similarity NPC184225
0.7261 Intermediate Similarity NPC237740
0.726 Intermediate Similarity NPC307963
0.726 Intermediate Similarity NPC326422
0.7257 Intermediate Similarity NPC471762
0.7257 Intermediate Similarity NPC4687

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC182222 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8414 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.8362 Intermediate Similarity NPD5482 Discontinued
0.819 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.8122 Intermediate Similarity NPD3006 Discontinued
0.8 Intermediate Similarity NPD2121 Clinical (unspecified phase)
0.7951 Intermediate Similarity NPD5450 Discontinued
0.7854 Intermediate Similarity NPD4958 Clinical (unspecified phase)
0.7851 Intermediate Similarity NPD7603 Discontinued
0.7778 Intermediate Similarity NPD484 Approved
0.7773 Intermediate Similarity NPD2509 Approved
0.7773 Intermediate Similarity NPD2510 Approved
0.7699 Intermediate Similarity NPD4429 Discontinued
0.7689 Intermediate Similarity NPD3394 Approved
0.7689 Intermediate Similarity NPD3389 Approved
0.7689 Intermediate Similarity NPD3393 Approved
0.7555 Intermediate Similarity NPD1996 Discontinued
0.7521 Intermediate Similarity NPD5022 Discontinued
0.7511 Intermediate Similarity NPD5416 Discontinued
0.7468 Intermediate Similarity NPD3263 Phase 3
0.7434 Intermediate Similarity NPD5475 Discontinued
0.7426 Intermediate Similarity NPD5040 Clinical (unspecified phase)
0.7412 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD6242 Discontinued
0.7395 Intermediate Similarity NPD2951 Discontinued
0.7391 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.7366 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD7853 Phase 2
0.7339 Intermediate Similarity NPD8356 Approved
0.7316 Intermediate Similarity NPD5632 Approved
0.7298 Intermediate Similarity NPD8370 Discontinued
0.7288 Intermediate Similarity NPD8430 Approved
0.7288 Intermediate Similarity NPD7268 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD4845 Discontinued
0.7281 Intermediate Similarity NPD7470 Discontinued
0.7277 Intermediate Similarity NPD3178 Discontinued
0.7276 Intermediate Similarity NPD4558 Phase 2
0.7273 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD1038 Approved
0.7247 Intermediate Similarity NPD6525 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD5901 Discontinued
0.7229 Intermediate Similarity NPD2433 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD3794 Approved
0.7217 Intermediate Similarity NPD3795 Approved
0.7207 Intermediate Similarity NPD4987 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD3330 Phase 1
0.717 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD2094 Phase 2
0.7163 Intermediate Similarity NPD2092 Phase 2
0.7163 Intermediate Similarity NPD2095 Phase 2
0.7162 Intermediate Similarity NPD5003 Discontinued
0.7161 Intermediate Similarity NPD7547 Clinical (unspecified phase)
0.7154 Intermediate Similarity NPD6530 Approved
0.7154 Intermediate Similarity NPD6531 Approved
0.7143 Intermediate Similarity NPD7994 Phase 2
0.7143 Intermediate Similarity NPD3259 Approved
0.7137 Intermediate Similarity NPD7404 Approved
0.7137 Intermediate Similarity NPD7203 Clinical (unspecified phase)
0.7137 Intermediate Similarity NPD4373 Phase 2
0.7137 Intermediate Similarity NPD6770 Approved
0.713 Intermediate Similarity NPD2096 Phase 2
0.713 Intermediate Similarity NPD2091 Phase 2
0.7123 Intermediate Similarity NPD482 Approved
0.7119 Intermediate Similarity NPD6160 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD1856 Discontinued
0.7105 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.7104 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7104 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD5640 Discontinued
0.7101 Intermediate Similarity NPD8289 Discontinued
0.71 Intermediate Similarity NPD6657 Clinical (unspecified phase)
0.7085 Intermediate Similarity NPD7948 Phase 1
0.7083 Intermediate Similarity NPD5801 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD4952 Phase 3
0.7082 Intermediate Similarity NPD5612 Discontinued
0.7074 Intermediate Similarity NPD6376 Discontinued
0.7066 Intermediate Similarity NPD7558 Phase 2
0.7066 Intermediate Similarity NPD6741 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD3779 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD6567 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD4368 Phase 2
0.704 Intermediate Similarity NPD5512 Phase 3
0.7039 Intermediate Similarity NPD7538 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD4948 Discontinued
0.7008 Intermediate Similarity NPD8091 Phase 3
0.7 Intermediate Similarity NPD4086 Phase 1
0.6996 Remote Similarity NPD3243 Approved
0.6991 Remote Similarity NPD4501 Approved
0.6991 Remote Similarity NPD4500 Approved
0.6987 Remote Similarity NPD6247 Clinical (unspecified phase)
0.6983 Remote Similarity NPD5066 Phase 2
0.6983 Remote Similarity NPD5067 Phase 2
0.6979 Remote Similarity NPD4989 Phase 2
0.6975 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6974 Remote Similarity NPD6176 Phase 1
0.6972 Remote Similarity NPD1096 Discontinued
0.697 Remote Similarity NPD4506 Discontinued
0.6969 Remote Similarity NPD8049 Phase 2
0.6968 Remote Similarity NPD2564 Approved
0.6968 Remote Similarity NPD2565 Phase 2
0.6968 Remote Similarity NPD1213 Phase 3
0.6967 Remote Similarity NPD424 Approved
0.6967 Remote Similarity NPD425 Approved
0.6966 Remote Similarity NPD5293 Phase 2
0.6964 Remote Similarity NPD6790 Phase 1
0.6962 Remote Similarity NPD3280 Approved
0.6957 Remote Similarity NPD2311 Clinical (unspecified phase)
0.6957 Remote Similarity NPD1392 Approved
0.6953 Remote Similarity NPD5866 Approved
0.6953 Remote Similarity NPD7069 Discontinued
0.695 Remote Similarity NPD4442 Phase 2
0.6949 Remote Similarity NPD7395 Discontinued
0.6949 Remote Similarity NPD3354 Phase 2
0.6948 Remote Similarity NPD3962 Phase 2
0.6948 Remote Similarity NPD3959 Phase 2
0.6943 Remote Similarity NPD4795 Phase 2
0.6943 Remote Similarity NPD4038 Approved
0.6943 Remote Similarity NPD4035 Approved
0.6943 Remote Similarity NPD3947 Discontinued
0.6943 Remote Similarity NPD4033 Approved
0.6943 Remote Similarity NPD4037 Approved
0.6943 Remote Similarity NPD4039 Approved
0.6943 Remote Similarity NPD32 Approved
0.6943 Remote Similarity NPD31 Approved
0.6943 Remote Similarity NPD4034 Approved
0.6943 Remote Similarity NPD4036 Approved
0.6943 Remote Similarity NPD4122 Approved
0.6942 Remote Similarity NPD5479 Discontinued
0.6942 Remote Similarity NPD1659 Phase 1
0.6939 Remote Similarity NPD4454 Phase 2
0.6936 Remote Similarity NPD2412 Clinical (unspecified phase)
0.693 Remote Similarity NPD2779 Approved
0.6923 Remote Similarity NPD7393 Clinical (unspecified phase)
0.6916 Remote Similarity NPD750 Phase 2
0.6916 Remote Similarity NPD1739 Approved
0.6916 Remote Similarity NPD1740 Approved
0.6909 Remote Similarity NPD7690 Clinical (unspecified phase)
0.6901 Remote Similarity NPD5559 Phase 2
0.6897 Remote Similarity NPD6529 Discontinued
0.6895 Remote Similarity NPD7417 Discontinued
0.6894 Remote Similarity NPD4897 Phase 2
0.6892 Remote Similarity NPD6276 Discontinued
0.6891 Remote Similarity NPD5850 Phase 3
0.6885 Remote Similarity NPD3746 Discontinued
0.6885 Remote Similarity NPD1572 Phase 2
0.6884 Remote Similarity NPD5065 Approved
0.6884 Remote Similarity NPD9690 Approved
0.6881 Remote Similarity NPD1783 Clinical (unspecified phase)
0.688 Remote Similarity NPD8093 Discontinued
0.6879 Remote Similarity NPD8279 Clinical (unspecified phase)
0.6875 Remote Similarity NPD802 Phase 2
0.6873 Remote Similarity NPD6456 Discontinued
0.6872 Remote Similarity NPD2176 Approved
0.6872 Remote Similarity NPD2177 Approved
0.6872 Remote Similarity NPD3825 Phase 3
0.6872 Remote Similarity NPD2175 Phase 3
0.6867 Remote Similarity NPD6716 Phase 1
0.6867 Remote Similarity NPD648 Clinical (unspecified phase)
0.6867 Remote Similarity NPD7998 Clinical (unspecified phase)
0.6852 Remote Similarity NPD1955 Discontinued
0.6851 Remote Similarity NPD3945 Discontinued
0.6849 Remote Similarity NPD6974 Phase 3
0.6846 Remote Similarity NPD7586 Clinical (unspecified phase)
0.6846 Remote Similarity NPD7803 Approved
0.684 Remote Similarity NPD7001 Phase 3
0.6838 Remote Similarity NPD3986 Discontinued
0.6838 Remote Similarity NPD949 Phase 1
0.6838 Remote Similarity NPD4502 Phase 2
0.6835 Remote Similarity NPD3326 Clinical (unspecified phase)
0.6831 Remote Similarity NPD1571 Phase 2
0.6829 Remote Similarity NPD3074 Discontinued
0.6824 Remote Similarity NPD8463 Approved
0.6824 Remote Similarity NPD4926 Clinical (unspecified phase)
0.6822 Remote Similarity NPD7708 Approved
0.6822 Remote Similarity NPD5116 Phase 1
0.682 Remote Similarity NPD6159 Phase 2
0.6818 Remote Similarity NPD5018 Phase 3
0.6818 Remote Similarity NPD1273 Discontinued
0.6816 Remote Similarity NPD3960 Clinical (unspecified phase)
0.6807 Remote Similarity NPD7878 Phase 2
0.6805 Remote Similarity NPD6173 Approved
0.6802 Remote Similarity NPD5891 Approved
0.68 Remote Similarity NPD1483 Discontinued
0.6798 Remote Similarity NPD2778 Approved
0.6798 Remote Similarity NPD7621 Clinical (unspecified phase)
0.6797 Remote Similarity NPD2721 Clinical (unspecified phase)
0.6789 Remote Similarity NPD4850 Phase 1
0.6787 Remote Similarity NPD1927 Discontinued
0.6786 Remote Similarity NPD5592 Clinical (unspecified phase)
0.6784 Remote Similarity NPD1229 Phase 2
0.6781 Remote Similarity NPD5658 Approved
0.678 Remote Similarity NPD7689 Approved
0.6777 Remote Similarity NPD9705 Discontinued
0.6777 Remote Similarity NPD112 Approved
0.6776 Remote Similarity NPD1505 Phase 2
0.6772 Remote Similarity NPD3809 Discontinued
0.6772 Remote Similarity NPD8101 Phase 3
0.6769 Remote Similarity NPD8248 Clinical (unspecified phase)
0.6767 Remote Similarity NPD7010 Phase 3
0.6767 Remote Similarity NPD3003 Approved

Structure

External Identifiers

PubChem CID   15573072
ChEMBL   CHEMBL2229721
ZINC  

Physicochemical Properties

Molecular Weight:  242.07
ALogP:  -0.8695
MLogP:  2.34
XLogP:  1.883
# Rotatable Bonds:  4
Polar Surface Area:  75.21
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  18

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs