Natural Product: NPC470813

Natural Product ID:  NPC470813
Common Name:   (1R,4As,6S,8R,8As)-8-Methoxy-6,8A-Dimethyl-5-Methylidene-1,4,4A,6,7,8-Hexahydronaphthalene-1,2-Dicarbaldehyde
IUPAC Name:   (1R,4aS,6S,8R,8aS)-8-methoxy-6,8a-dimethyl-5-methylidene-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
Synonyms:  
Molecular Formula:   C16H22O3
Standard InCHIKey:  YXWNFPZXEUKCBB-AFWDSHEPSA-N
Standard InCHI:  InChI=1S/C16H22O3/c1-10-7-15(19-4)16(3)13(11(10)2)6-5-12(8-17)14(16)9-18/h5,8-10,13-15H,2,6-7H2,1,3-4H3/t10-,13-,14-,15+,16-/m0/s1
Canonical SMILES:  CO[C@@H]1C[C@H](C)C(=C)[C@H]2[C@@]1(C)[C@@H](C=O)C(=CC2)C=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
NPO12007 Pseudowintera axillaris Species Winteraceae Eukaryota PMID[16417306]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT828 Organism Phaeosphaeria nodorum Phaeosphaeria nodorum Inhibition = 20 % 19027993
NPT1095 Organism Plasmopara viticola Plasmopara viticola Inhibition = 33 % 19027993
NPT1095 Organism Plasmopara viticola Plasmopara viticola Inhibition = 9 % 19027993
NPT825 Organism Phytophthora infestans Phytophthora infestans Inhibition = 3 % 19027993
NPT1095 Organism Plasmopara viticola Plasmopara viticola Inhibition = 70 % 19027993
NPT825 Organism Phytophthora infestans Phytophthora infestans Inhibition = 98 % 19027993
NPT825 Organism Phytophthora infestans Phytophthora infestans Inhibition = 67 % 19027993
NPT828 Organism Phaeosphaeria nodorum Phaeosphaeria nodorum Inhibition = 20 % 19428250
NPT827 Organism Mycosphaerella graminicola Mycosphaerella graminicola Inhibition = 0 % 12502331
NPT6576 Organism Puccinia graminis f. tritici Puccinia graminis f. tritici Inhibition = 0 % 12502331
NPT6576 Organism Puccinia graminis f. tritici Puccinia graminis f. tritici Inhibition = 21 % 12502331
NPT827 Organism Mycosphaerella graminicola Mycosphaerella graminicola Inhibition = 0 % DrugMatrix in vivo data: Pathology

  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 NPC470813 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
0.925 High Similarity NPC470812
0.8736 High Similarity NPC269729
0.8636 High Similarity NPC274417
0.8605 High Similarity NPC328141
0.8415 Intermediate Similarity NPC119229
0.8395 Intermediate Similarity NPC283789
0.8372 Intermediate Similarity NPC474925
0.8372 Intermediate Similarity NPC473229
0.8333 Intermediate Similarity NPC61369
0.8333 Intermediate Similarity NPC469545
0.8333 Intermediate Similarity NPC5532
0.8272 Intermediate Similarity NPC253561
0.8272 Intermediate Similarity NPC80088
0.8261 Intermediate Similarity NPC475392
0.8261 Intermediate Similarity NPC475202
0.8261 Intermediate Similarity NPC475385
0.8214 Intermediate Similarity NPC64600
0.8193 Intermediate Similarity NPC149237
0.8193 Intermediate Similarity NPC475665
0.8182 Intermediate Similarity NPC152467
0.8171 Intermediate Similarity NPC476177
0.8161 Intermediate Similarity NPC206060
0.8158 Intermediate Similarity NPC4370
0.8158 Intermediate Similarity NPC290350
0.8148 Intermediate Similarity NPC197659
0.8132 Intermediate Similarity NPC192428
0.8111 Intermediate Similarity NPC471040
0.8095 Intermediate Similarity NPC70479
0.809 Intermediate Similarity NPC99380
0.8072 Intermediate Similarity NPC472301
0.8072 Intermediate Similarity NPC172013
0.8068 Intermediate Similarity NPC469546
0.8068 Intermediate Similarity NPC472983
0.8052 Intermediate Similarity NPC155198
0.8043 Intermediate Similarity NPC226986
0.8023 Intermediate Similarity NPC2709
0.8 Intermediate Similarity NPC307258
0.8 Intermediate Similarity NPC474185
0.8 Intermediate Similarity NPC95585
0.8 Intermediate Similarity NPC282233
0.8 Intermediate Similarity NPC105173
0.7978 Intermediate Similarity NPC183283
0.7978 Intermediate Similarity NPC191684
0.7975 Intermediate Similarity NPC474562
0.7955 Intermediate Similarity NPC328539
0.7955 Intermediate Similarity NPC215831
0.7955 Intermediate Similarity NPC158778
0.7935 Intermediate Similarity NPC471039
0.7927 Intermediate Similarity NPC470428
0.7927 Intermediate Similarity NPC472300
0.7917 Intermediate Similarity NPC470297
0.7912 Intermediate Similarity NPC470697
0.7907 Intermediate Similarity NPC251170
0.7889 Intermediate Similarity NPC172101
0.7889 Intermediate Similarity NPC472975
0.7882 Intermediate Similarity NPC142683
0.7882 Intermediate Similarity NPC163236
0.7865 Intermediate Similarity NPC472973
0.7865 Intermediate Similarity NPC119416
0.7865 Intermediate Similarity NPC184663
0.7865 Intermediate Similarity NPC86319
0.7865 Intermediate Similarity NPC73995
0.7865 Intermediate Similarity NPC275740
0.7857 Intermediate Similarity NPC474956
0.7841 Intermediate Similarity NPC38885
0.7841 Intermediate Similarity NPC30421
0.7835 Intermediate Similarity NPC1679
0.7831 Intermediate Similarity NPC476949
0.7831 Intermediate Similarity NPC59436
0.7831 Intermediate Similarity NPC62336
0.7816 Intermediate Similarity NPC70685
0.7816 Intermediate Similarity NPC300985
0.7805 Intermediate Similarity NPC186554
0.7805 Intermediate Similarity NPC76966
0.7802 Intermediate Similarity NPC79117
0.7778 Intermediate Similarity NPC128672
0.7778 Intermediate Similarity NPC101651
0.7778 Intermediate Similarity NPC211641
0.7778 Intermediate Similarity NPC159748
0.7778 Intermediate Similarity NPC128346
0.7778 Intermediate Similarity NPC219232
0.7778 Intermediate Similarity NPC134321
0.7778 Intermediate Similarity NPC223093
0.7765 Intermediate Similarity NPC90055
0.7765 Intermediate Similarity NPC473420
0.7765 Intermediate Similarity NPC474085
0.7753 Intermediate Similarity NPC224145
0.7753 Intermediate Similarity NPC143767
0.7753 Intermediate Similarity NPC472802
0.7753 Intermediate Similarity NPC131470
0.7753 Intermediate Similarity NPC226863
0.7738 Intermediate Similarity NPC308038
0.7738 Intermediate Similarity NPC470429
0.7738 Intermediate Similarity NPC152061
0.7727 Intermediate Similarity NPC94755
0.7727 Intermediate Similarity NPC220478
0.7727 Intermediate Similarity NPC477579
0.7727 Intermediate Similarity NPC235341
0.7727 Intermediate Similarity NPC95594
0.7717 Intermediate Similarity NPC477130
0.7717 Intermediate Similarity NPC477129
0.7717 Intermediate Similarity NPC103527
0.7717 Intermediate Similarity NPC471207
0.7711 Intermediate Similarity NPC219809
0.7692 Intermediate Similarity NPC218301
0.7692 Intermediate Similarity NPC185936
0.7692 Intermediate Similarity NPC168027
0.7692 Intermediate Similarity NPC230064
0.7692 Intermediate Similarity NPC472978
0.7684 Intermediate Similarity NPC112167
0.7684 Intermediate Similarity NPC174314
0.7684 Intermediate Similarity NPC104861
0.7677 Intermediate Similarity NPC476802
0.7677 Intermediate Similarity NPC89171
0.766 Intermediate Similarity NPC292133
0.766 Intermediate Similarity NPC23680
0.7647 Intermediate Similarity NPC2482
0.7647 Intermediate Similarity NPC476809
0.7647 Intermediate Similarity NPC469637
0.7647 Intermediate Similarity NPC471514
0.764 Intermediate Similarity NPC472324
0.7634 Intermediate Similarity NPC316215
0.7634 Intermediate Similarity NPC183012
0.7619 Intermediate Similarity NPC478246
0.7619 Intermediate Similarity NPC207186
0.7619 Intermediate Similarity NPC35574
0.7619 Intermediate Similarity NPC115515
0.7619 Intermediate Similarity NPC478247
0.7614 Intermediate Similarity NPC189311
0.7614 Intermediate Similarity NPC470574
0.7614 Intermediate Similarity NPC110405
0.7614 Intermediate Similarity NPC476678
0.7614 Intermediate Similarity NPC323765
0.7614 Intermediate Similarity NPC476426
0.7614 Intermediate Similarity NPC177932
0.7614 Intermediate Similarity NPC133652
0.7609 Intermediate Similarity NPC134826
0.7609 Intermediate Similarity NPC69454
0.7609 Intermediate Similarity NPC151722
0.7604 Intermediate Similarity NPC472637
0.7604 Intermediate Similarity NPC237190
0.759 Intermediate Similarity NPC263582
0.759 Intermediate Similarity NPC470525
0.759 Intermediate Similarity NPC250621
0.7586 Intermediate Similarity NPC22611
0.7586 Intermediate Similarity NPC470165
0.7586 Intermediate Similarity NPC118800
0.7582 Intermediate Similarity NPC472325
0.7582 Intermediate Similarity NPC475965
0.7582 Intermediate Similarity NPC474842
0.7582 Intermediate Similarity NPC85173
0.7579 Intermediate Similarity NPC194196
0.7579 Intermediate Similarity NPC471966
0.7579 Intermediate Similarity NPC176845
0.7561 Intermediate Similarity NPC78527
0.7558 Intermediate Similarity NPC473217
0.7558 Intermediate Similarity NPC116797
0.7558 Intermediate Similarity NPC226068
0.7558 Intermediate Similarity NPC121984
0.7556 Intermediate Similarity NPC471722
0.7556 Intermediate Similarity NPC474677
0.7556 Intermediate Similarity NPC474845
0.7556 Intermediate Similarity NPC477128
0.7553 Intermediate Similarity NPC122324
0.7553 Intermediate Similarity NPC151725
0.7553 Intermediate Similarity NPC106425
0.7551 Intermediate Similarity NPC189616
0.7532 Intermediate Similarity NPC52449
0.7532 Intermediate Similarity NPC169275
0.7529 Intermediate Similarity NPC281138
0.7528 Intermediate Similarity NPC471042
0.7528 Intermediate Similarity NPC9892
0.7528 Intermediate Similarity NPC94666
0.7528 Intermediate Similarity NPC194417
0.7528 Intermediate Similarity NPC158393
0.7528 Intermediate Similarity NPC472986
0.7528 Intermediate Similarity NPC472985
0.7528 Intermediate Similarity NPC325594
0.7528 Intermediate Similarity NPC179591
0.7528 Intermediate Similarity NPC73038
0.7528 Intermediate Similarity NPC6979
0.7528 Intermediate Similarity NPC74363
0.7528 Intermediate Similarity NPC34190
0.7528 Intermediate Similarity NPC72133
0.7528 Intermediate Similarity NPC472974
0.7528 Intermediate Similarity NPC10005
0.7528 Intermediate Similarity NPC327115
0.7528 Intermediate Similarity NPC329943
0.7528 Intermediate Similarity NPC91525
0.7528 Intermediate Similarity NPC195640
0.7528 Intermediate Similarity NPC475862
0.7527 Intermediate Similarity NPC472977
0.7527 Intermediate Similarity NPC196227
0.7527 Intermediate Similarity NPC472976
0.75 Intermediate Similarity NPC146683
0.75 Intermediate Similarity NPC476412
0.75 Intermediate Similarity NPC470906
0.75 Intermediate Similarity NPC297265
0.75 Intermediate Similarity NPC272746
0.75 Intermediate Similarity NPC257666

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470813 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
0.8132 Intermediate Similarity NPD4697 Phase 3
0.7931 Intermediate Similarity NPD3618 Phase 1
0.7889 Intermediate Similarity NPD6079 Approved
0.7865 Intermediate Similarity NPD5328 Approved
0.7841 Intermediate Similarity NPD3573 Approved
0.7717 Intermediate Similarity NPD7900 Approved
0.7717 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7614 Intermediate Similarity NPD1694 Approved
0.7553 Intermediate Similarity NPD5222 Approved
0.7553 Intermediate Similarity NPD5221 Approved
0.7553 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD7334 Approved
0.7528 Intermediate Similarity NPD5330 Approved
0.7528 Intermediate Similarity NPD7521 Approved
0.7528 Intermediate Similarity NPD6684 Approved
0.7528 Intermediate Similarity NPD7146 Approved
0.7528 Intermediate Similarity NPD6409 Approved
0.75 Intermediate Similarity NPD3665 Phase 1
0.75 Intermediate Similarity NPD3666 Approved
0.75 Intermediate Similarity NPD3133 Approved
0.7474 Intermediate Similarity NPD5173 Approved
0.7474 Intermediate Similarity NPD7902 Approved
0.7363 Intermediate Similarity NPD6903 Approved
0.7363 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.734 Intermediate Similarity NPD7748 Approved
0.7333 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD5286 Approved
0.732 Intermediate Similarity NPD5285 Approved
0.732 Intermediate Similarity NPD4696 Approved
0.7312 Intermediate Similarity NPD7515 Phase 2
0.7292 Intermediate Similarity NPD4755 Approved
0.7273 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD3667 Approved
0.7245 Intermediate Similarity NPD5223 Approved
0.7241 Intermediate Similarity NPD4695 Discontinued
0.7234 Intermediate Similarity NPD4202 Approved
0.7195 Intermediate Similarity NPD4691 Approved
0.7174 Intermediate Similarity NPD5737 Approved
0.7174 Intermediate Similarity NPD6672 Approved
0.7172 Intermediate Similarity NPD4633 Approved
0.7172 Intermediate Similarity NPD5211 Phase 2
0.7172 Intermediate Similarity NPD5225 Approved
0.7172 Intermediate Similarity NPD5226 Approved
0.7172 Intermediate Similarity NPD5224 Approved
0.7143 Intermediate Similarity NPD5279 Phase 3
0.7143 Intermediate Similarity NPD4700 Approved
0.7129 Intermediate Similarity NPD6008 Approved
0.7115 Intermediate Similarity NPD6649 Approved
0.7115 Intermediate Similarity NPD6650 Approved
0.7111 Intermediate Similarity NPD4786 Approved
0.7111 Intermediate Similarity NPD3668 Phase 3
0.71 Intermediate Similarity NPD5175 Approved
0.71 Intermediate Similarity NPD5174 Approved
0.7087 Intermediate Similarity NPD6373 Approved
0.7087 Intermediate Similarity NPD6372 Approved
0.7083 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD4221 Approved
0.7079 Intermediate Similarity NPD4223 Phase 3
0.7073 Intermediate Similarity NPD4137 Phase 3
0.7059 Intermediate Similarity NPD5697 Approved
0.7053 Intermediate Similarity NPD6399 Phase 3
0.703 Intermediate Similarity NPD5141 Approved
0.699 Remote Similarity NPD6011 Approved
0.699 Remote Similarity NPD6881 Approved
0.699 Remote Similarity NPD6899 Approved
0.6988 Remote Similarity NPD4747 Approved
0.6979 Remote Similarity NPD6001 Approved
0.6961 Remote Similarity NPD5739 Approved
0.6961 Remote Similarity NPD6675 Approved
0.6961 Remote Similarity NPD6402 Approved
0.6961 Remote Similarity NPD7128 Approved
0.6957 Remote Similarity NPD5690 Phase 2
0.6941 Remote Similarity NPD4058 Approved
0.6931 Remote Similarity NPD4754 Approved
0.6923 Remote Similarity NPD6014 Approved
0.6923 Remote Similarity NPD6012 Approved
0.6923 Remote Similarity NPD6013 Approved
0.6923 Remote Similarity NPD4197 Approved
0.6915 Remote Similarity NPD4753 Phase 2
0.6907 Remote Similarity NPD5210 Approved
0.6907 Remote Similarity NPD4629 Approved
0.6893 Remote Similarity NPD5701 Approved
0.6857 Remote Similarity NPD7290 Approved
0.6857 Remote Similarity NPD7102 Approved
0.6857 Remote Similarity NPD6883 Approved
0.6848 Remote Similarity NPD5329 Approved
0.6842 Remote Similarity NPD5207 Approved
0.6827 Remote Similarity NPD4729 Approved
0.6827 Remote Similarity NPD5128 Approved
0.6827 Remote Similarity NPD5168 Approved
0.6827 Remote Similarity NPD4730 Approved
0.6827 Remote Similarity NPD7320 Approved
0.6818 Remote Similarity NPD3617 Approved
0.6809 Remote Similarity NPD5208 Approved
0.6796 Remote Similarity NPD4768 Approved
0.6796 Remote Similarity NPD4767 Approved
0.6792 Remote Similarity NPD6617 Approved
0.6792 Remote Similarity NPD6869 Approved
0.6792 Remote Similarity NPD6847 Approved
0.6792 Remote Similarity NPD8130 Phase 1
0.6774 Remote Similarity NPD4688 Approved
0.6774 Remote Similarity NPD4693 Phase 3
0.6774 Remote Similarity NPD5280 Approved
0.6774 Remote Similarity NPD4623 Approved
0.6774 Remote Similarity NPD4690 Approved
0.6774 Remote Similarity NPD4138 Approved
0.6774 Remote Similarity NPD4694 Approved
0.6774 Remote Similarity NPD5205 Approved
0.6774 Remote Similarity NPD4519 Discontinued
0.6774 Remote Similarity NPD4689 Approved
0.6771 Remote Similarity NPD6411 Approved
0.6744 Remote Similarity NPD4687 Approved
0.6744 Remote Similarity NPD5733 Approved
0.6742 Remote Similarity NPD7645 Phase 2
0.6737 Remote Similarity NPD6673 Approved
0.6737 Remote Similarity NPD6904 Approved
0.6737 Remote Similarity NPD6080 Approved
0.6735 Remote Similarity NPD5695 Phase 3
0.6729 Remote Similarity NPD6882 Approved
0.6729 Remote Similarity NPD8297 Approved
0.6707 Remote Similarity NPD7331 Phase 2
0.6706 Remote Similarity NPD5276 Approved
0.67 Remote Similarity NPD5696 Approved
0.6698 Remote Similarity NPD5249 Phase 3
0.6698 Remote Similarity NPD5247 Approved
0.6698 Remote Similarity NPD5251 Approved
0.6698 Remote Similarity NPD5250 Approved
0.6698 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6698 Remote Similarity NPD4634 Approved
0.6698 Remote Similarity NPD5248 Approved
0.6698 Remote Similarity NPD5135 Approved
0.6698 Remote Similarity NPD5169 Approved
0.6667 Remote Similarity NPD7732 Phase 3
0.6667 Remote Similarity NPD5692 Phase 3
0.6667 Remote Similarity NPD4632 Approved
0.6636 Remote Similarity NPD5215 Approved
0.6636 Remote Similarity NPD5216 Approved
0.6636 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6636 Remote Similarity NPD5127 Approved
0.6636 Remote Similarity NPD5217 Approved
0.66 Remote Similarity NPD6083 Phase 2
0.66 Remote Similarity NPD6084 Phase 2
0.6598 Remote Similarity NPD5281 Approved
0.6598 Remote Similarity NPD8035 Phase 2
0.6598 Remote Similarity NPD5694 Approved
0.6598 Remote Similarity NPD5693 Phase 1
0.6598 Remote Similarity NPD6050 Approved
0.6598 Remote Similarity NPD5284 Approved
0.6598 Remote Similarity NPD8034 Phase 2
0.6596 Remote Similarity NPD6098 Approved
0.6585 Remote Similarity NPD7341 Phase 2
0.6562 Remote Similarity NPD6101 Approved
0.6562 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6556 Remote Similarity NPD4195 Approved
0.6548 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6545 Remote Similarity NPD6274 Approved
0.6545 Remote Similarity NPD6868 Approved
0.6535 Remote Similarity NPD4225 Approved
0.6535 Remote Similarity NPD7638 Approved
0.6489 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6486 Remote Similarity NPD6009 Approved
0.6486 Remote Similarity NPD6317 Approved
0.6471 Remote Similarity NPD7639 Approved
0.6471 Remote Similarity NPD7640 Approved
0.6456 Remote Similarity NPD287 Approved
0.6455 Remote Similarity NPD5167 Approved
0.6452 Remote Similarity NPD4788 Approved
0.6429 Remote Similarity NPD6314 Approved
0.6429 Remote Similarity NPD6313 Approved
0.6429 Remote Similarity NPD6335 Approved
0.6415 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6404 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6404 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6392 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6372 Remote Similarity NPD7100 Approved
0.6372 Remote Similarity NPD7101 Approved
0.6364 Remote Similarity NPD5778 Approved
0.6364 Remote Similarity NPD5779 Approved
0.6339 Remote Similarity NPD7115 Discovery
0.6337 Remote Similarity NPD7614 Phase 1
0.6327 Remote Similarity NPD4096 Approved
0.6316 Remote Similarity NPD6054 Approved
0.6316 Remote Similarity NPD6319 Approved
0.6316 Remote Similarity NPD1696 Phase 3
0.6304 Remote Similarity NPD7525 Registered
0.6304 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6292 Remote Similarity NPD7339 Approved
0.6292 Remote Similarity NPD6942 Approved
0.6292 Remote Similarity NPD8039 Approved
0.6277 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6262 Remote Similarity NPD6412 Phase 2
0.6261 Remote Similarity NPD5983 Phase 2
0.6261 Remote Similarity NPD6015 Approved
0.6261 Remote Similarity NPD6016 Approved
0.6239 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6238 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6238 Remote Similarity NPD5654 Approved
0.6237 Remote Similarity NPD4692 Approved
0.6237 Remote Similarity NPD4139 Approved
0.6237 Remote Similarity NPD8028 Phase 2

Structure

External Identifiers

PubChem CID   11557991
ChEMBL   CHEMBL2252771
ZINC  

Physicochemical Properties

Molecular Weight:  262.16
ALogP:  0.7451
MLogP:  2.89
XLogP:  1.896
# Rotatable Bonds:  6
Polar Surface Area:  43.37
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  19

Download Data

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Biological Activities  
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