Drug Information

Drug ID:  NPD1626
Drug Name:  
Molecular Formula:  C15H15NO2
Canonical SMILES:  [O-]C(=O)c1ccccc1Nc1cccc(c1C)C
Standard InCHI:  InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)/p-1
Standard InCHIKey:  HYYBABOKPJLUIN-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1626

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
High Similarity 0.8676 NPC253476
High Similarity 0.8613 NPC173295
Intermediate Similarity 0.831 NPC43477
Intermediate Similarity 0.8284 NPC226794
Intermediate Similarity 0.812 NPC130931
Intermediate Similarity 0.8043 NPC122235
Intermediate Similarity 0.8 NPC268534
Intermediate Similarity 0.7949 NPC182131
Intermediate Similarity 0.7857 NPC194562
Intermediate Similarity 0.7852 NPC179605
Intermediate Similarity 0.7852 NPC279385
Intermediate Similarity 0.7794 NPC103292
Intermediate Similarity 0.7754 NPC192533
Intermediate Similarity 0.7704 NPC229353
Intermediate Similarity 0.7682 NPC300596
Intermediate Similarity 0.7682 NPC237649
Intermediate Similarity 0.766 NPC209389
Intermediate Similarity 0.7636 NPC470317
Intermediate Similarity 0.7619 NPC242933
Intermediate Similarity 0.7552 NPC314098
Intermediate Similarity 0.7551 NPC181527
Intermediate Similarity 0.7536 NPC257490
Intermediate Similarity 0.7485 NPC471742
Intermediate Similarity 0.7483 NPC159722
Intermediate Similarity 0.7468 NPC27904
Intermediate Similarity 0.7439 NPC471743
Intermediate Similarity 0.7429 NPC254698
Intermediate Similarity 0.7405 NPC172170
Intermediate Similarity 0.7403 NPC144691
Intermediate Similarity 0.7391 NPC177684
Intermediate Similarity 0.7391 NPC291962
Intermediate Similarity 0.7375 NPC189116
Intermediate Similarity 0.7368 NPC313293
Intermediate Similarity 0.7357 NPC39818
Intermediate Similarity 0.7338 NPC112373
Intermediate Similarity 0.7338 NPC150323
Intermediate Similarity 0.7338 NPC161956
Intermediate Similarity 0.7338 NPC258531
Intermediate Similarity 0.732 NPC259678
Intermediate Similarity 0.7267 NPC204867
Intermediate Similarity 0.7241 NPC477432
Intermediate Similarity 0.7235 NPC49184
Intermediate Similarity 0.7222 NPC72473
Intermediate Similarity 0.7222 NPC58827
Intermediate Similarity 0.7222 NPC307437
Intermediate Similarity 0.7219 NPC243058
Intermediate Similarity 0.7212 NPC177261
Intermediate Similarity 0.7203 NPC205946
Intermediate Similarity 0.7195 NPC471778
Intermediate Similarity 0.719 NPC130797
Intermediate Similarity 0.7186 NPC219848
Intermediate Similarity 0.7143 NPC93653
Intermediate Similarity 0.7143 NPC256268
Intermediate Similarity 0.711 NPC477998
Intermediate Similarity 0.7093 NPC90415
Intermediate Similarity 0.7086 NPC319645
Intermediate Similarity 0.7076 NPC203635
Intermediate Similarity 0.7059 NPC472241
Intermediate Similarity 0.7029 NPC138370
Intermediate Similarity 0.7015 NPC79618
Intermediate Similarity 0.7012 NPC471130
Intermediate Similarity 0.7012 NPC299582
Intermediate Similarity 0.7 NPC283810
Intermediate Similarity 0.7 NPC475685
Remote Similarity 0.6994 NPC88970
Remote Similarity 0.6994 NPC199737
Remote Similarity 0.6994 NPC160381
Remote Similarity 0.6993 NPC2823
Remote Similarity 0.6966 NPC470343
Remote Similarity 0.6966 NPC472244
Remote Similarity 0.6964 NPC475594
Remote Similarity 0.6959 NPC472163
Remote Similarity 0.6954 NPC278434
Remote Similarity 0.6933 NPC316104
Remote Similarity 0.6933 NPC322644
Remote Similarity 0.6933 NPC162417
Remote Similarity 0.6928 NPC472243
Remote Similarity 0.6923 NPC475607
Remote Similarity 0.6923 NPC472242
Remote Similarity 0.6918 NPC250476
Remote Similarity 0.691 NPC198205
Remote Similarity 0.691 NPC21483
Remote Similarity 0.6908 NPC43218
Remote Similarity 0.6903 NPC308197
Remote Similarity 0.6901 NPC226143
Remote Similarity 0.689 NPC257763
Remote Similarity 0.6887 NPC300299
Remote Similarity 0.6883 NPC471164
Remote Similarity 0.6882 NPC474081
Remote Similarity 0.6871 NPC193410
Remote Similarity 0.6871 NPC36495
Remote Similarity 0.6864 NPC470548
Remote Similarity 0.6857 NPC473815
Remote Similarity 0.6846 NPC316746
Remote Similarity 0.6846 NPC231382
Remote Similarity 0.6845 NPC126676
Remote Similarity 0.6845 NPC469671
Remote Similarity 0.6839 NPC282103
Remote Similarity 0.6833 NPC198390
Remote Similarity 0.6829 NPC248117
Remote Similarity 0.6824 NPC84347
Remote Similarity 0.6813 NPC314223
Remote Similarity 0.681 NPC61013
Remote Similarity 0.681 NPC123241
Remote Similarity 0.6802 NPC298320
Remote Similarity 0.6797 NPC316574
Remote Similarity 0.6797 NPC287358
Remote Similarity 0.6796 NPC311054
Remote Similarity 0.6796 NPC112752
Remote Similarity 0.6788 NPC293458
Remote Similarity 0.6776 NPC471944
Remote Similarity 0.6772 NPC470579
Remote Similarity 0.6765 NPC434
Remote Similarity 0.6758 NPC90358
Remote Similarity 0.6758 NPC107828
Remote Similarity 0.6752 NPC136002
Remote Similarity 0.6752 NPC190945
Remote Similarity 0.675 NPC241392
Remote Similarity 0.675 NPC13526
Remote Similarity 0.6748 NPC63370
Remote Similarity 0.6748 NPC36836
Remote Similarity 0.6746 NPC474814
Remote Similarity 0.6746 NPC112336
Remote Similarity 0.6746 NPC318183
Remote Similarity 0.6744 NPC475761
Remote Similarity 0.6744 NPC474041
Remote Similarity 0.6726 NPC470971
Remote Similarity 0.6726 NPC224970
Remote Similarity 0.6726 NPC223595
Remote Similarity 0.6726 NPC167724
Remote Similarity 0.6714 NPC57051
Remote Similarity 0.671 NPC181526
Remote Similarity 0.671 NPC314252
Remote Similarity 0.671 NPC207554
Remote Similarity 0.6706 NPC191310
Remote Similarity 0.6705 NPC85613
Remote Similarity 0.6689 NPC314278
Remote Similarity 0.6689 NPC322433
Remote Similarity 0.6687 NPC242000
Remote Similarity 0.6687 NPC99632
Remote Similarity 0.6687 NPC282339
Remote Similarity 0.6686 NPC472118
Remote Similarity 0.6685 NPC176371
Remote Similarity 0.6685 NPC136573
Remote Similarity 0.6684 NPC243850
Remote Similarity 0.6667 NPC472245
Remote Similarity 0.6667 NPC316202
Remote Similarity 0.6667 NPC206186
Remote Similarity 0.6667 NPC146370
Remote Similarity 0.6667 NPC303225
Remote Similarity 0.6649 NPC475223
Remote Similarity 0.6646 NPC323798
Remote Similarity 0.6645 NPC83214
Remote Similarity 0.6627 NPC201424
Remote Similarity 0.6626 NPC295021
Remote Similarity 0.6613 NPC246983
Remote Similarity 0.6613 NPC475448
Remote Similarity 0.6609 NPC5167
Remote Similarity 0.6608 NPC73280
Remote Similarity 0.6603 NPC315051
Remote Similarity 0.6593 NPC255676
Remote Similarity 0.6579 NPC476689
Remote Similarity 0.6579 NPC476685
Remote Similarity 0.6579 NPC476687
Remote Similarity 0.6578 NPC132539
Remote Similarity 0.6578 NPC314648
Remote Similarity 0.6576 NPC241263
Remote Similarity 0.6561 NPC471574
Remote Similarity 0.6561 NPC285192
Remote Similarity 0.6557 NPC141454
Remote Similarity 0.6554 NPC322621
Remote Similarity 0.6552 NPC474815
Remote Similarity 0.655 NPC292265
Remote Similarity 0.6543 NPC82053
Remote Similarity 0.6543 NPC313345
Remote Similarity 0.6543 NPC314855
Remote Similarity 0.6543 NPC313796
Remote Similarity 0.6543 NPC315638
Remote Similarity 0.6541 NPC229242
Remote Similarity 0.6538 NPC108800
Remote Similarity 0.6538 NPC315224
Remote Similarity 0.6536 NPC221873
Remote Similarity 0.6532 NPC203202
Remote Similarity 0.6532 NPC264482
Remote Similarity 0.6529 NPC470894
Remote Similarity 0.6522 NPC474916
Remote Similarity 0.6519 NPC301702
Remote Similarity 0.6517 NPC194040
Remote Similarity 0.6509 NPC115232
Remote Similarity 0.6508 NPC314297
Remote Similarity 0.6508 NPC315545
Remote Similarity 0.6508 NPC477999
Remote Similarity 0.6494 NPC186669
Remote Similarity 0.649 NPC150863
Remote Similarity 0.6489 NPC261181
Remote Similarity 0.6478 NPC314287
Remote Similarity 0.6474 NPC293216
Remote Similarity 0.6474 NPC266249
Remote Similarity 0.6471 NPC40364
Remote Similarity 0.6471 NPC288759

Drug Structure

External Identifiers

TTD   DIB001699
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  240.10
ALogP  -0.054
MLogP  2.78
XLogP  4.101
HDA  3
HBD  1
Rotatable Bonds  6
TPSA  52.16
RO5 Violation  0