Drug Information

Drug ID:  NPD7709
Drug Name:  ONT-093
Molecular Formula:  C32H38N4O
Canonical SMILES:  CCOC/C=C/c1ccc(cc1)c1[nH]c(c(n1)c1ccc(cc1)NC(C)C)c1ccc(cc1)NC(C)C
Standard InCHI:  InChI=1S/C32H38N4O/c1-6-37-21-7-8-24-9-11-27(12-10-24)32-35-30(25-13-17-28(18-14-25)33-22(2)3)31(36-32)26-15-19-29(20-16-26)34-23(4)5/h7-20,22-23,33-34H,6,21H2,1-5H3,(H,35,36)/b8-7+
Standard InCHIKey:  RSJCLODJSVZNQA-BQYQJAHWSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7709

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
Intermediate Similarity 0.7849 NPC114209
Intermediate Similarity 0.7473 NPC317054
Intermediate Similarity 0.7437 NPC469308
Intermediate Similarity 0.7429 NPC204141
Intermediate Similarity 0.7403 NPC300238
Intermediate Similarity 0.7322 NPC470203
Intermediate Similarity 0.7268 NPC470204
Intermediate Similarity 0.7267 NPC216159
Intermediate Similarity 0.7246 NPC471603
Intermediate Similarity 0.7143 NPC476219
Intermediate Similarity 0.7119 NPC42483
Intermediate Similarity 0.7081 NPC122141
Intermediate Similarity 0.7049 NPC476297
Intermediate Similarity 0.7029 NPC125746
Intermediate Similarity 0.7017 NPC282531
Intermediate Similarity 0.7006 NPC115611
Remote Similarity 0.6995 NPC325903
Remote Similarity 0.6972 NPC187145
Remote Similarity 0.6971 NPC325252
Remote Similarity 0.6948 NPC267811
Remote Similarity 0.694 NPC469975
Remote Similarity 0.6935 NPC474880
Remote Similarity 0.6935 NPC475990
Remote Similarity 0.6935 NPC221786
Remote Similarity 0.6931 NPC49217
Remote Similarity 0.6915 NPC247987
Remote Similarity 0.691 NPC284635
Remote Similarity 0.6898 NPC229173
Remote Similarity 0.689 NPC116555
Remote Similarity 0.6885 NPC24678
Remote Similarity 0.6885 NPC105818
Remote Similarity 0.6875 NPC218268
Remote Similarity 0.6872 NPC16659
Remote Similarity 0.6865 NPC470507
Remote Similarity 0.6865 NPC38736
Remote Similarity 0.6854 NPC88097
Remote Similarity 0.6845 NPC92796
Remote Similarity 0.6845 NPC135141
Remote Similarity 0.6837 NPC307191
Remote Similarity 0.6831 NPC37548
Remote Similarity 0.6831 NPC321911
Remote Similarity 0.6825 NPC472587
Remote Similarity 0.6821 NPC176199
Remote Similarity 0.6821 NPC265710
Remote Similarity 0.6821 NPC215795
Remote Similarity 0.6818 NPC198988
Remote Similarity 0.6818 NPC473189
Remote Similarity 0.6813 NPC143872
Remote Similarity 0.68 NPC473930
Remote Similarity 0.6793 NPC33421
Remote Similarity 0.6778 NPC469766
Remote Similarity 0.6776 NPC179787
Remote Similarity 0.6776 NPC469811
Remote Similarity 0.6776 NPC201380
Remote Similarity 0.6772 NPC225018
Remote Similarity 0.6771 NPC474897
Remote Similarity 0.6769 NPC240088
Remote Similarity 0.6769 NPC473380
Remote Similarity 0.6768 NPC284678
Remote Similarity 0.676 NPC312092
Remote Similarity 0.6758 NPC470440
Remote Similarity 0.6745 NPC126066
Remote Similarity 0.6743 NPC179365
Remote Similarity 0.6743 NPC475450
Remote Similarity 0.6739 NPC124005
Remote Similarity 0.6737 NPC8104
Remote Similarity 0.6737 NPC317105
Remote Similarity 0.6735 NPC6093
Remote Similarity 0.6729 NPC282247
Remote Similarity 0.6722 NPC469767
Remote Similarity 0.6722 NPC469783
Remote Similarity 0.6722 NPC469768
Remote Similarity 0.6722 NPC469779
Remote Similarity 0.6722 NPC469780
Remote Similarity 0.6722 NPC469761
Remote Similarity 0.6722 NPC469784
Remote Similarity 0.6721 NPC63545
Remote Similarity 0.6721 NPC129042
Remote Similarity 0.672 NPC215584
Remote Similarity 0.672 NPC44773
Remote Similarity 0.6718 NPC280852
Remote Similarity 0.6703 NPC53947
Remote Similarity 0.6703 NPC242556
Remote Similarity 0.6686 NPC22079
Remote Similarity 0.6685 NPC473868
Remote Similarity 0.6685 NPC21605
Remote Similarity 0.6685 NPC63157
Remote Similarity 0.6684 NPC80597
Remote Similarity 0.6684 NPC75540
Remote Similarity 0.6684 NPC70922
Remote Similarity 0.6684 NPC211572
Remote Similarity 0.6684 NPC212376
Remote Similarity 0.6684 NPC120070
Remote Similarity 0.6682 NPC130570
Remote Similarity 0.6667 NPC56765
Remote Similarity 0.6667 NPC318065
Remote Similarity 0.6667 NPC159856
Remote Similarity 0.6667 NPC37423
Remote Similarity 0.6667 NPC41257
Remote Similarity 0.6667 NPC314372
Remote Similarity 0.6667 NPC275305
Remote Similarity 0.6667 NPC206819
Remote Similarity 0.6651 NPC71238
Remote Similarity 0.6649 NPC184476
Remote Similarity 0.6649 NPC311276
Remote Similarity 0.6649 NPC21174
Remote Similarity 0.6649 NPC187951
Remote Similarity 0.6649 NPC469785
Remote Similarity 0.6649 NPC271797
Remote Similarity 0.6648 NPC190296
Remote Similarity 0.6647 NPC250361
Remote Similarity 0.6634 NPC195314
Remote Similarity 0.6632 NPC473320
Remote Similarity 0.6632 NPC317430
Remote Similarity 0.6631 NPC469760
Remote Similarity 0.6631 NPC469763
Remote Similarity 0.6631 NPC469765
Remote Similarity 0.6631 NPC25008
Remote Similarity 0.6631 NPC469786
Remote Similarity 0.6631 NPC73952
Remote Similarity 0.6631 NPC259644
Remote Similarity 0.663 NPC288838
Remote Similarity 0.663 NPC59084
Remote Similarity 0.663 NPC2949
Remote Similarity 0.6629 NPC473587
Remote Similarity 0.6618 NPC265576
Remote Similarity 0.6617 NPC141612
Remote Similarity 0.6617 NPC135601
Remote Similarity 0.6617 NPC17273
Remote Similarity 0.6616 NPC88110
Remote Similarity 0.6615 NPC472123
Remote Similarity 0.6615 NPC34508
Remote Similarity 0.6614 NPC236711
Remote Similarity 0.6614 NPC216643
Remote Similarity 0.6614 NPC469762
Remote Similarity 0.6607 NPC69843
Remote Similarity 0.66 NPC472294
Remote Similarity 0.66 NPC21429
Remote Similarity 0.66 NPC108011
Remote Similarity 0.6599 NPC68354
Remote Similarity 0.6598 NPC194411
Remote Similarity 0.6596 NPC471458
Remote Similarity 0.6595 NPC477134
Remote Similarity 0.6591 NPC475428
Remote Similarity 0.659 NPC472027
Remote Similarity 0.6587 NPC32200
Remote Similarity 0.6582 NPC189812
Remote Similarity 0.6582 NPC329688
Remote Similarity 0.658 NPC470509
Remote Similarity 0.6575 NPC73767
Remote Similarity 0.6571 NPC473762
Remote Similarity 0.6567 NPC280290
Remote Similarity 0.6562 NPC271734
Remote Similarity 0.6558 NPC54981
Remote Similarity 0.6556 NPC84911
Remote Similarity 0.6552 NPC196251
Remote Similarity 0.6552 NPC63199
Remote Similarity 0.6552 NPC111602
Remote Similarity 0.6552 NPC102338
Remote Similarity 0.655 NPC139291
Remote Similarity 0.655 NPC472108
Remote Similarity 0.6549 NPC267078
Remote Similarity 0.6549 NPC935
Remote Similarity 0.6546 NPC63751
Remote Similarity 0.6546 NPC201700
Remote Similarity 0.6543 NPC232798
Remote Similarity 0.6537 NPC304187
Remote Similarity 0.6537 NPC477166
Remote Similarity 0.6533 NPC300688
Remote Similarity 0.6526 NPC286427
Remote Similarity 0.6526 NPC299594
Remote Similarity 0.652 NPC474357
Remote Similarity 0.652 NPC324091
Remote Similarity 0.6515 NPC59269
Remote Similarity 0.6512 NPC41174
Remote Similarity 0.651 NPC16667
Remote Similarity 0.6508 NPC477815
Remote Similarity 0.6504 NPC470323
Remote Similarity 0.65 NPC96102
Remote Similarity 0.65 NPC29886
Remote Similarity 0.65 NPC261195
Remote Similarity 0.6495 NPC160105
Remote Similarity 0.6493 NPC193761
Remote Similarity 0.6489 NPC470233
Remote Similarity 0.6485 NPC308931
Remote Similarity 0.6485 NPC99939
Remote Similarity 0.6485 NPC15102
Remote Similarity 0.6484 NPC110126
Remote Similarity 0.6482 NPC270009
Remote Similarity 0.648 NPC470498
Remote Similarity 0.648 NPC6982
Remote Similarity 0.6477 NPC40779
Remote Similarity 0.6477 NPC90723
Remote Similarity 0.6474 NPC285469
Remote Similarity 0.6471 NPC34271
Remote Similarity 0.6471 NPC46413
Remote Similarity 0.6468 NPC48938
Remote Similarity 0.6468 NPC19679
Remote Similarity 0.6465 NPC56618
Remote Similarity 0.6465 NPC474958

Drug Structure

External Identifiers

TTD   DIB005924
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  494.30
ALogP  -0.4788
MLogP  4.43
XLogP  8.78
HDA  5
HBD  3
Rotatable Bonds  16
TPSA  61.97
RO5 Violation  2