Natural Product: NPC130011

Natural Product ID:  NPC130011
Common Name:   2Alpha-Hydroxyfriedelan-3-One
IUPAC Name:   (2R,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-2-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
Synonyms:  
Molecular Formula:   C30H50O2
Standard InCHIKey:  DSEKYWAQQVUQTP-XEWMWGOFSA-N
Standard InCHI:  InChI=1S/C30H50O2/c1-19-24(32)20(31)17-22-27(19,5)10-9-21-28(22,6)14-16-30(8)23-18-25(2,3)11-12-26(23,4)13-15-29(21,30)7/h19-23,31H,9-18H2,1-8H3/t19-,20+,21-,22+,23+,26+,27+,28+,29+,30-/m0/s1
Canonical SMILES:  O[C@@H]1C[C@@H]2[C@]([C@H](C1=O)C)(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C
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
NPO17226 Burkholderia pyrrocinia Species Burkholderiaceae Bacteria UNPD*
NPO19333 Byssothecium obiones Species Massarinaceae Eukaryota UNPD*
NPO2968 Anthopleura xanthogrammica Species Actiniidae Eukaryota UNPD*
NPO18463 Plectocephalus chilensis Species Asteraceae Eukaryota UNPD*
NPO6850 Typha domingensis Species Typhaceae Eukaryota UNPD*
NPO291 Suillus bovinus Species Suillaceae Eukaryota UNPD*
NPO6130 Mammillaria magnimamma Species Cactaceae Eukaryota UNPD*
NPO1897 Ephedra aphylla Species Ephedraceae Eukaryota UNPD*
NPO10870 Trichilia hirta Species Meliaceae Eukaryota UNPD*
NPO3756 Munronia delavayi Species Meliaceae Eukaryota UNPD*
NPO3419 Quercus suber Species Fagaceae Eukaryota UNPD*
NPO7622 Monanchora pulchra Species Crambeidae Eukaryota UNPD*
NPO4293 Allium neapolitanum Species Amaryllidaceae Eukaryota UNPD*
NPO2609 Neonectria candida Species Nectriaceae Eukaryota UNPD*
NPO25775 Dasystenella acanthina Species Primnoidae Eukaryota UNPD*
NPO4816 Cycas armstrongii Species Cycadaceae Eukaryota UNPD*
NPO3124 Gloiopeltis furcata Species Endocladiaceae Eukaryota UNPD*
NPO6302 Licaria armeniaca Species Lauraceae Eukaryota UNPD*
NPO115 Eutreptia viridis Species NA Eukaryota UNPD*
NPO5082 Cycas revoluta Species Cycadaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens GI50 = 59500 nM 11678649
NPT384 Cell Line TK-10 Homo sapiens GI50 = 90500 nM 11678649
NPT398 Cell Line UACC-62 Homo sapiens GI50 = 86000 nM 11678649
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 67800 nM 11678649
NPT2 Others Unspecified IC50 = 82300 nM 11678649
NPT395 Cell Line SF-268 Homo sapiens GI50 = 95800 nM 11678649

  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 NPC130011 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
0.9855 High Similarity NPC267753
0.9565 High Similarity NPC282905
0.9565 High Similarity NPC68426
0.9565 High Similarity NPC477229
0.9444 High Similarity NPC26029
0.9429 High Similarity NPC159325
0.9429 High Similarity NPC168511
0.9265 High Similarity NPC2568
0.9265 High Similarity NPC180777
0.9265 High Similarity NPC260319
0.9265 High Similarity NPC103647
0.9167 High Similarity NPC108840
0.8889 High Similarity NPC254340
0.8873 High Similarity NPC290058
0.8767 High Similarity NPC97534
0.8767 High Similarity NPC195155
0.8767 High Similarity NPC174964
0.875 High Similarity NPC81759
0.8718 High Similarity NPC105895
0.8667 High Similarity NPC472608
0.8649 High Similarity NPC475742
0.8649 High Similarity NPC5767
0.8611 High Similarity NPC58057
0.8611 High Similarity NPC320549
0.8611 High Similarity NPC156277
0.8611 High Similarity NPC247195
0.8611 High Similarity NPC151018
0.8592 High Similarity NPC131892
0.8592 High Similarity NPC213178
0.8592 High Similarity NPC6120
0.8592 High Similarity NPC327728
0.8571 High Similarity NPC50658
0.8533 High Similarity NPC23884
0.8533 High Similarity NPC221420
0.8493 Intermediate Similarity NPC232112
0.8451 Intermediate Similarity NPC100917
0.8451 Intermediate Similarity NPC469724
0.8451 Intermediate Similarity NPC31187
0.8451 Intermediate Similarity NPC281203
0.8451 Intermediate Similarity NPC475977
0.8421 Intermediate Similarity NPC243594
0.8421 Intermediate Similarity NPC31031
0.8356 Intermediate Similarity NPC89310
0.8333 Intermediate Similarity NPC48756
0.8333 Intermediate Similarity NPC476071
0.8333 Intermediate Similarity NPC328264
0.8333 Intermediate Similarity NPC280781
0.831 Intermediate Similarity NPC472984
0.8289 Intermediate Similarity NPC143133
0.8289 Intermediate Similarity NPC298168
0.8267 Intermediate Similarity NPC273366
0.8261 Intermediate Similarity NPC290791
0.8261 Intermediate Similarity NPC292419
0.825 Intermediate Similarity NPC474996
0.825 Intermediate Similarity NPC474233
0.825 Intermediate Similarity NPC34984
0.825 Intermediate Similarity NPC25037
0.8194 Intermediate Similarity NPC474954
0.8158 Intermediate Similarity NPC472487
0.8158 Intermediate Similarity NPC472486
0.8148 Intermediate Similarity NPC62572
0.8133 Intermediate Similarity NPC167702
0.8133 Intermediate Similarity NPC133922
0.8133 Intermediate Similarity NPC280026
0.8082 Intermediate Similarity NPC321732
0.8082 Intermediate Similarity NPC324607
0.8072 Intermediate Similarity NPC230387
0.8056 Intermediate Similarity NPC204233
0.8052 Intermediate Similarity NPC112463
0.8052 Intermediate Similarity NPC475031
0.8052 Intermediate Similarity NPC472746
0.8026 Intermediate Similarity NPC21220
0.8026 Intermediate Similarity NPC159789
0.8026 Intermediate Similarity NPC212733
0.8026 Intermediate Similarity NPC125767
0.8 Intermediate Similarity NPC289486
0.8 Intermediate Similarity NPC30583
0.8 Intermediate Similarity NPC61107
0.8 Intermediate Similarity NPC310766
0.8 Intermediate Similarity NPC328007
0.7949 Intermediate Similarity NPC185465
0.7945 Intermediate Similarity NPC469987
0.7945 Intermediate Similarity NPC473225
0.7945 Intermediate Similarity NPC475893
0.7927 Intermediate Similarity NPC133954
0.7922 Intermediate Similarity NPC4209
0.7907 Intermediate Similarity NPC472148
0.7907 Intermediate Similarity NPC472147
0.7901 Intermediate Similarity NPC327451
0.7901 Intermediate Similarity NPC475726
0.7901 Intermediate Similarity NPC269684
0.7901 Intermediate Similarity NPC472743
0.7882 Intermediate Similarity NPC46441
0.7875 Intermediate Similarity NPC474870
0.7875 Intermediate Similarity NPC271572
0.7848 Intermediate Similarity NPC320144
0.7831 Intermediate Similarity NPC74363
0.7831 Intermediate Similarity NPC187545
0.7831 Intermediate Similarity NPC475862
0.7831 Intermediate Similarity NPC213412
0.7821 Intermediate Similarity NPC207010
0.7821 Intermediate Similarity NPC317913
0.7805 Intermediate Similarity NPC219535
0.7805 Intermediate Similarity NPC237938
0.7805 Intermediate Similarity NPC180834
0.7805 Intermediate Similarity NPC474482
0.7805 Intermediate Similarity NPC475745
0.7791 Intermediate Similarity NPC474525
0.7778 Intermediate Similarity NPC80463
0.7778 Intermediate Similarity NPC268040
0.7778 Intermediate Similarity NPC260116
0.7765 Intermediate Similarity NPC122116
0.7763 Intermediate Similarity NPC475230
0.775 Intermediate Similarity NPC261616
0.775 Intermediate Similarity NPC470609
0.7738 Intermediate Similarity NPC73064
0.7733 Intermediate Similarity NPC476731
0.7733 Intermediate Similarity NPC108131
0.7722 Intermediate Similarity NPC324700
0.7722 Intermediate Similarity NPC171426
0.7722 Intermediate Similarity NPC224802
0.7722 Intermediate Similarity NPC34046
0.7722 Intermediate Similarity NPC80089
0.7711 Intermediate Similarity NPC292553
0.7671 Intermediate Similarity NPC142712
0.7662 Intermediate Similarity NPC472854
0.7654 Intermediate Similarity NPC3915
0.7654 Intermediate Similarity NPC469745
0.7632 Intermediate Similarity NPC126642
0.7632 Intermediate Similarity NPC473267
0.7625 Intermediate Similarity NPC73013
0.7625 Intermediate Similarity NPC201276
0.7625 Intermediate Similarity NPC80891
0.7625 Intermediate Similarity NPC201459
0.7619 Intermediate Similarity NPC95594
0.7619 Intermediate Similarity NPC56588
0.7619 Intermediate Similarity NPC120395
0.7619 Intermediate Similarity NPC72638
0.7619 Intermediate Similarity NPC475276
0.7619 Intermediate Similarity NPC471737
0.7619 Intermediate Similarity NPC248216
0.7619 Intermediate Similarity NPC477579
0.7619 Intermediate Similarity NPC472738
0.7619 Intermediate Similarity NPC83242
0.7619 Intermediate Similarity NPC476726
0.7619 Intermediate Similarity NPC476727
0.7619 Intermediate Similarity NPC235341
0.76 Intermediate Similarity NPC252032
0.76 Intermediate Similarity NPC319671
0.76 Intermediate Similarity NPC469941
0.76 Intermediate Similarity NPC476734
0.76 Intermediate Similarity NPC178541
0.7595 Intermediate Similarity NPC476811
0.7595 Intermediate Similarity NPC149249
0.7595 Intermediate Similarity NPC264602
0.759 Intermediate Similarity NPC473299
0.759 Intermediate Similarity NPC74595
0.759 Intermediate Similarity NPC171789
0.759 Intermediate Similarity NPC264665
0.7568 Intermediate Similarity NPC41542
0.7568 Intermediate Similarity NPC48079
0.7564 Intermediate Similarity NPC179858
0.7561 Intermediate Similarity NPC48362
0.7561 Intermediate Similarity NPC317066
0.7561 Intermediate Similarity NPC310989
0.7558 Intermediate Similarity NPC69627
0.7534 Intermediate Similarity NPC19311
0.7534 Intermediate Similarity NPC230047
0.7532 Intermediate Similarity NPC253805
0.7532 Intermediate Similarity NPC211009
0.7531 Intermediate Similarity NPC18955
0.7529 Intermediate Similarity NPC57469
0.7529 Intermediate Similarity NPC470920
0.7529 Intermediate Similarity NPC293564
0.7529 Intermediate Similarity NPC307426
0.7529 Intermediate Similarity NPC51700
0.7529 Intermediate Similarity NPC18064
0.7529 Intermediate Similarity NPC102683
0.7529 Intermediate Similarity NPC242468
0.7529 Intermediate Similarity NPC4643
0.7529 Intermediate Similarity NPC68160
0.7529 Intermediate Similarity NPC88716
0.7529 Intermediate Similarity NPC171203
0.7529 Intermediate Similarity NPC130577
0.7529 Intermediate Similarity NPC98442
0.7529 Intermediate Similarity NPC142415
0.75 Intermediate Similarity NPC264317
0.75 Intermediate Similarity NPC477929
0.75 Intermediate Similarity NPC114891
0.75 Intermediate Similarity NPC131350
0.75 Intermediate Similarity NPC294438
0.75 Intermediate Similarity NPC274724
0.75 Intermediate Similarity NPC329117
0.75 Intermediate Similarity NPC307063
0.7471 Intermediate Similarity NPC185529
0.7471 Intermediate Similarity NPC472146
0.7471 Intermediate Similarity NPC291028
0.7471 Intermediate Similarity NPC18536
0.7471 Intermediate Similarity NPC50443
0.7467 Intermediate Similarity NPC472741

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC130011 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
0.8611 High Similarity NPD4809 Clinical (unspecified phase)
0.8611 High Similarity NPD4808 Clinical (unspecified phase)
0.8592 High Similarity NPD3699 Clinical (unspecified phase)
0.8592 High Similarity NPD3700 Clinical (unspecified phase)
0.8472 Intermediate Similarity NPD4789 Approved
0.8219 Intermediate Similarity NPD4245 Approved
0.8219 Intermediate Similarity NPD4244 Approved
0.8133 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.8082 Intermediate Similarity NPD3698 Phase 2
0.8026 Intermediate Similarity NPD3703 Phase 2
0.7945 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7945 Intermediate Similarity NPD5360 Phase 3
0.7922 Intermediate Similarity NPD6117 Approved
0.7821 Intermediate Similarity NPD6116 Phase 1
0.7778 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7722 Intermediate Similarity NPD6697 Approved
0.7722 Intermediate Similarity NPD6115 Approved
0.7722 Intermediate Similarity NPD6114 Approved
0.7722 Intermediate Similarity NPD3671 Phase 1
0.7722 Intermediate Similarity NPD6118 Approved
0.75 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD4224 Phase 2
0.7403 Intermediate Similarity NPD4758 Discontinued
0.7386 Intermediate Similarity NPD7515 Phase 2
0.7179 Intermediate Similarity NPD5777 Approved
0.7179 Intermediate Similarity NPD6081 Approved
0.7073 Intermediate Similarity NPD5364 Discontinued
0.7033 Intermediate Similarity NPD7748 Approved
0.6977 Remote Similarity NPD4786 Approved
0.6941 Remote Similarity NPD3667 Approved
0.6923 Remote Similarity NPD4267 Clinical (unspecified phase)
0.686 Remote Similarity NPD4788 Approved
0.6835 Remote Similarity NPD4787 Phase 1
0.6818 Remote Similarity NPD3618 Phase 1
0.6813 Remote Similarity NPD8034 Phase 2
0.6813 Remote Similarity NPD8035 Phase 2
0.6809 Remote Similarity NPD7902 Approved
0.6786 Remote Similarity NPD7645 Phase 2
0.6778 Remote Similarity NPD5328 Approved
0.6707 Remote Similarity NPD3702 Approved
0.6667 Remote Similarity NPD3617 Approved
0.663 Remote Similarity NPD6079 Approved
0.6593 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6591 Remote Similarity NPD3666 Approved
0.6591 Remote Similarity NPD3665 Phase 1
0.6591 Remote Similarity NPD3133 Approved
0.6526 Remote Similarity NPD5221 Approved
0.6526 Remote Similarity NPD4697 Phase 3
0.6526 Remote Similarity NPD5222 Approved
0.6526 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6489 Remote Similarity NPD7900 Approved
0.6489 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6458 Remote Similarity NPD5173 Approved
0.6458 Remote Similarity NPD4755 Approved
0.6444 Remote Similarity NPD5279 Phase 3
0.6413 Remote Similarity NPD4753 Phase 2
0.64 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6389 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6383 Remote Similarity NPD4202 Approved
0.6333 Remote Similarity NPD5329 Approved
0.6327 Remote Similarity NPD5286 Approved
0.6327 Remote Similarity NPD4696 Approved
0.6327 Remote Similarity NPD5285 Approved
0.6327 Remote Similarity NPD4700 Approved
0.6322 Remote Similarity NPD6928 Phase 2
0.6322 Remote Similarity NPD4695 Discontinued
0.6263 Remote Similarity NPD5223 Approved
0.6222 Remote Similarity NPD3668 Phase 3
0.6222 Remote Similarity NPD4197 Approved
0.6211 Remote Similarity NPD6399 Phase 3
0.62 Remote Similarity NPD5225 Approved
0.62 Remote Similarity NPD5226 Approved
0.62 Remote Similarity NPD4633 Approved
0.62 Remote Similarity NPD5211 Phase 2
0.62 Remote Similarity NPD5224 Approved
0.6184 Remote Similarity NPD3198 Approved
0.6176 Remote Similarity NPD6402 Approved
0.6176 Remote Similarity NPD7128 Approved
0.6176 Remote Similarity NPD5739 Approved
0.6176 Remote Similarity NPD6675 Approved
0.6176 Remote Similarity NPD6920 Discontinued
0.6164 Remote Similarity NPD615 Clinical (unspecified phase)
0.6162 Remote Similarity NPD8418 Phase 2
0.6139 Remote Similarity NPD5174 Approved
0.6139 Remote Similarity NPD5175 Approved
0.6139 Remote Similarity NPD4754 Approved
0.6136 Remote Similarity NPD7525 Registered
0.6129 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6122 Remote Similarity NPD6084 Phase 2
0.6122 Remote Similarity NPD6083 Phase 2
0.6087 Remote Similarity NPD384 Approved
0.6087 Remote Similarity NPD385 Approved
0.6082 Remote Similarity NPD5210 Approved
0.6082 Remote Similarity NPD4629 Approved
0.6078 Remote Similarity NPD5141 Approved
0.6058 Remote Similarity NPD6899 Approved
0.6058 Remote Similarity NPD6881 Approved
0.6058 Remote Similarity NPD6415 Discontinued
0.6058 Remote Similarity NPD7320 Approved
0.6058 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6055 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6019 Remote Similarity NPD4768 Approved
0.6019 Remote Similarity NPD4767 Approved
0.6 Remote Similarity NPD4221 Approved
0.6 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6 Remote Similarity NPD6372 Approved
0.6 Remote Similarity NPD4223 Phase 3
0.6 Remote Similarity NPD6373 Approved
0.5962 Remote Similarity NPD5701 Approved
0.5962 Remote Similarity NPD5697 Approved
0.5957 Remote Similarity NPD5737 Approved
0.5957 Remote Similarity NPD6672 Approved
0.5943 Remote Similarity NPD7102 Approved
0.5943 Remote Similarity NPD7290 Approved
0.5943 Remote Similarity NPD6883 Approved
0.593 Remote Similarity NPD6942 Approved
0.593 Remote Similarity NPD7339 Approved
0.5914 Remote Similarity NPD6684 Approved
0.5914 Remote Similarity NPD4694 Approved
0.5914 Remote Similarity NPD5330 Approved
0.5914 Remote Similarity NPD5280 Approved
0.5914 Remote Similarity NPD7521 Approved
0.5914 Remote Similarity NPD7146 Approved
0.5914 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5914 Remote Similarity NPD6409 Approved
0.5914 Remote Similarity NPD5690 Phase 2
0.5914 Remote Similarity NPD7334 Approved
0.5905 Remote Similarity NPD6011 Approved
0.5905 Remote Similarity NPD4729 Approved
0.5905 Remote Similarity NPD5168 Approved
0.5905 Remote Similarity NPD5128 Approved
0.5905 Remote Similarity NPD4730 Approved
0.59 Remote Similarity NPD7638 Approved
0.5889 Remote Similarity NPD4692 Approved
0.5889 Remote Similarity NPD4139 Approved
0.5888 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5888 Remote Similarity NPD8130 Phase 1
0.5888 Remote Similarity NPD6847 Approved
0.5888 Remote Similarity NPD6617 Approved
0.5888 Remote Similarity NPD6649 Approved
0.5888 Remote Similarity NPD6869 Approved
0.5888 Remote Similarity NPD6650 Approved
0.5877 Remote Similarity NPD8328 Phase 3
0.5875 Remote Similarity NPD7909 Approved
0.5862 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5859 Remote Similarity NPD7614 Phase 1
0.5849 Remote Similarity NPD6014 Approved
0.5849 Remote Similarity NPD6013 Approved
0.5849 Remote Similarity NPD6012 Approved
0.5842 Remote Similarity NPD7639 Approved
0.5842 Remote Similarity NPD7640 Approved
0.5833 Remote Similarity NPD8297 Approved
0.5833 Remote Similarity NPD6882 Approved
0.5794 Remote Similarity NPD5135 Approved
0.5794 Remote Similarity NPD5248 Approved
0.5794 Remote Similarity NPD5249 Phase 3
0.5794 Remote Similarity NPD5250 Approved
0.5794 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5794 Remote Similarity NPD5251 Approved
0.5794 Remote Similarity NPD5247 Approved
0.5794 Remote Similarity NPD4634 Approved
0.5794 Remote Similarity NPD5169 Approved
0.5789 Remote Similarity NPD6903 Approved
0.5783 Remote Similarity NPD6705 Phase 1
0.578 Remote Similarity NPD8133 Approved
0.5778 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5758 Remote Similarity NPD5695 Phase 3
0.5745 Remote Similarity NPD4138 Approved
0.5745 Remote Similarity NPD4693 Phase 3
0.5745 Remote Similarity NPD6098 Approved
0.5745 Remote Similarity NPD4519 Discontinued
0.5745 Remote Similarity NPD4623 Approved
0.5745 Remote Similarity NPD5205 Approved
0.5745 Remote Similarity NPD4690 Approved
0.5745 Remote Similarity NPD4689 Approved
0.5745 Remote Similarity NPD4688 Approved
0.5743 Remote Similarity NPD5696 Approved
0.5741 Remote Similarity NPD5217 Approved
0.5741 Remote Similarity NPD5127 Approved
0.5741 Remote Similarity NPD5215 Approved
0.5741 Remote Similarity NPD5216 Approved
0.5728 Remote Similarity NPD7632 Discontinued
0.5714 Remote Similarity NPD8171 Discontinued
0.5684 Remote Similarity NPD3573 Approved
0.5676 Remote Similarity NPD6868 Approved
0.566 Remote Similarity NPD6412 Phase 2
0.5636 Remote Similarity NPD4632 Approved
0.5612 Remote Similarity NPD6411 Approved
0.5604 Remote Similarity NPD4748 Discontinued

Structure

External Identifiers

PubChem CID   21596125
ChEMBL   CHEMBL450831
ZINC  

Physicochemical Properties

Molecular Weight:  442.38
ALogP:  2.5653
MLogP:  4.54
XLogP:  12.067
# Rotatable Bonds:  9
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  32

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs