Drug Information

Drug ID:  NPD569
Drug Name:  
Molecular Formula:  C11H16N2O2
Canonical SMILES:  O=Cc1cc(n(c1C)CCN=C(O)C)C
Standard InCHI:  InChI=1S/C11H16N2O2/c1-8-6-11(7-14)9(2)13(8)5-4-12-10(3)15/h6-7H,4-5H2,1-3H3,(H,12,15)
Standard InCHIKey:  ZUQSGZULKDDMEW-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD569

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 0.831 NPC472288
Intermediate Similarity 0.7962 NPC114637
Intermediate Similarity 0.7885 NPC242116
Intermediate Similarity 0.7817 NPC71236
Intermediate Similarity 0.7662 NPC472260
Intermediate Similarity 0.7622 NPC471589
Intermediate Similarity 0.7564 NPC209362
Intermediate Similarity 0.7515 NPC83774
Intermediate Similarity 0.75 NPC469529
Intermediate Similarity 0.7453 NPC42372
Intermediate Similarity 0.7453 NPC233380
Intermediate Similarity 0.744 NPC159125
Intermediate Similarity 0.7436 NPC70406
Intermediate Similarity 0.7436 NPC217021
Intermediate Similarity 0.7436 NPC470679
Intermediate Similarity 0.7425 NPC61011
Intermediate Similarity 0.7425 NPC73994
Intermediate Similarity 0.7394 NPC293216
Intermediate Similarity 0.7389 NPC251391
Intermediate Similarity 0.7381 NPC113626
Intermediate Similarity 0.7372 NPC313889
Intermediate Similarity 0.7368 NPC129412
Intermediate Similarity 0.7368 NPC58268
Intermediate Similarity 0.7368 NPC101130
Intermediate Similarity 0.7368 NPC114033
Intermediate Similarity 0.7358 NPC213914
Intermediate Similarity 0.7355 NPC100726
Intermediate Similarity 0.7355 NPC105811
Intermediate Similarity 0.7338 NPC467188
Intermediate Similarity 0.7305 NPC234987
Intermediate Similarity 0.7294 NPC46895
Intermediate Similarity 0.7267 NPC98156
Intermediate Similarity 0.7267 NPC292434
Intermediate Similarity 0.7267 NPC200397
Intermediate Similarity 0.7267 NPC64661
Intermediate Similarity 0.7267 NPC138596
Intermediate Similarity 0.7267 NPC195704
Intermediate Similarity 0.7267 NPC14448
Intermediate Similarity 0.7267 NPC167200
Intermediate Similarity 0.7261 NPC473878
Intermediate Similarity 0.726 NPC313823
Intermediate Similarity 0.7239 NPC2414
Intermediate Similarity 0.72 NPC23215
Intermediate Similarity 0.7197 NPC123906
Intermediate Similarity 0.719 NPC238499
Intermediate Similarity 0.7176 NPC470677
Intermediate Similarity 0.717 NPC281094
Intermediate Similarity 0.7143 NPC27296
Intermediate Similarity 0.7135 NPC102755
Intermediate Similarity 0.7125 NPC263455
Intermediate Similarity 0.7118 NPC88110
Intermediate Similarity 0.7105 NPC65408
Intermediate Similarity 0.7078 NPC169308
Intermediate Similarity 0.7078 NPC59839
Intermediate Similarity 0.7078 NPC209281
Intermediate Similarity 0.7078 NPC12831
Intermediate Similarity 0.7078 NPC48171
Intermediate Similarity 0.7078 NPC286529
Intermediate Similarity 0.7078 NPC302717
Intermediate Similarity 0.7078 NPC97230
Intermediate Similarity 0.7078 NPC77582
Intermediate Similarity 0.7078 NPC3698
Intermediate Similarity 0.7078 NPC129753
Intermediate Similarity 0.7078 NPC74928
Intermediate Similarity 0.7078 NPC244087
Intermediate Similarity 0.7078 NPC205604
Intermediate Similarity 0.7073 NPC265100
Intermediate Similarity 0.7055 NPC100104
Intermediate Similarity 0.7055 NPC470680
Intermediate Similarity 0.7052 NPC241025
Intermediate Similarity 0.7052 NPC133003
Intermediate Similarity 0.7052 NPC476341
Intermediate Similarity 0.7032 NPC277157
Intermediate Similarity 0.7019 NPC229055
Intermediate Similarity 0.7019 NPC474236
Remote Similarity 0.6983 NPC472116
Remote Similarity 0.6975 NPC74357
Remote Similarity 0.6974 NPC291517
Remote Similarity 0.697 NPC476418
Remote Similarity 0.6951 NPC473706
Remote Similarity 0.6943 NPC230085
Remote Similarity 0.6943 NPC159630
Remote Similarity 0.6941 NPC476419
Remote Similarity 0.6937 NPC471655
Remote Similarity 0.6933 NPC76982
Remote Similarity 0.6928 NPC115232
Remote Similarity 0.6928 NPC474383
Remote Similarity 0.6919 NPC15840
Remote Similarity 0.6914 NPC17273
Remote Similarity 0.6914 NPC135601
Remote Similarity 0.6914 NPC66210
Remote Similarity 0.6914 NPC141612
Remote Similarity 0.6909 NPC214106
Remote Similarity 0.6909 NPC194881
Remote Similarity 0.6903 NPC104483
Remote Similarity 0.6901 NPC476566
Remote Similarity 0.6897 NPC110158
Remote Similarity 0.6897 NPC477003
Remote Similarity 0.6893 NPC154339
Remote Similarity 0.689 NPC474492
Remote Similarity 0.6882 NPC469938
Remote Similarity 0.6879 NPC191415
Remote Similarity 0.6875 NPC102664
Remote Similarity 0.6872 NPC267343
Remote Similarity 0.6867 NPC478182
Remote Similarity 0.6864 NPC249614
Remote Similarity 0.6857 NPC476423
Remote Similarity 0.6857 NPC282103
Remote Similarity 0.6857 NPC295158
Remote Similarity 0.6855 NPC478186
Remote Similarity 0.6852 NPC312860
Remote Similarity 0.6852 NPC107287
Remote Similarity 0.6845 NPC70949
Remote Similarity 0.6842 NPC151635
Remote Similarity 0.6839 NPC470205
Remote Similarity 0.6821 NPC24864
Remote Similarity 0.6818 NPC90415
Remote Similarity 0.6813 NPC474916
Remote Similarity 0.6805 NPC471943
Remote Similarity 0.6805 NPC65080
Remote Similarity 0.6802 NPC284775
Remote Similarity 0.68 NPC21429
Remote Similarity 0.68 NPC258480
Remote Similarity 0.6798 NPC324091
Remote Similarity 0.6792 NPC167400
Remote Similarity 0.6792 NPC260041
Remote Similarity 0.6792 NPC470440
Remote Similarity 0.6788 NPC293487
Remote Similarity 0.6788 NPC80681
Remote Similarity 0.6786 NPC41717
Remote Similarity 0.6784 NPC37268
Remote Similarity 0.6781 NPC48564
Remote Similarity 0.6781 NPC265605
Remote Similarity 0.6781 NPC182570
Remote Similarity 0.6776 NPC81535
Remote Similarity 0.6776 NPC256893
Remote Similarity 0.6774 NPC114310
Remote Similarity 0.6766 NPC306160
Remote Similarity 0.6766 NPC21174
Remote Similarity 0.6766 NPC271797
Remote Similarity 0.6761 NPC472107
Remote Similarity 0.6761 NPC79062
Remote Similarity 0.6743 NPC270834
Remote Similarity 0.6743 NPC243058
Remote Similarity 0.674 NPC202812
Remote Similarity 0.6739 NPC121327
Remote Similarity 0.6732 NPC330326
Remote Similarity 0.6732 NPC322488
Remote Similarity 0.6725 NPC252572
Remote Similarity 0.6724 NPC40530
Remote Similarity 0.6724 NPC314281
Remote Similarity 0.6721 NPC472284
Remote Similarity 0.6708 NPC112741
Remote Similarity 0.6705 NPC14325
Remote Similarity 0.6705 NPC64436
Remote Similarity 0.6705 NPC28848
Remote Similarity 0.6705 NPC472119
Remote Similarity 0.6705 NPC470003
Remote Similarity 0.6705 NPC203635
Remote Similarity 0.6705 NPC285923
Remote Similarity 0.6705 NPC219848
Remote Similarity 0.6688 NPC471574
Remote Similarity 0.6687 NPC314372
Remote Similarity 0.6686 NPC56233
Remote Similarity 0.6685 NPC472297
Remote Similarity 0.6685 NPC472296
Remote Similarity 0.6685 NPC472323
Remote Similarity 0.6685 NPC278434
Remote Similarity 0.6667 NPC476460
Remote Similarity 0.6667 NPC478184
Remote Similarity 0.6667 NPC190296
Remote Similarity 0.6667 NPC138370
Remote Similarity 0.6667 NPC273532
Remote Similarity 0.6667 NPC20144
Remote Similarity 0.6667 NPC13432
Remote Similarity 0.6667 NPC150259
Remote Similarity 0.6667 NPC11126
Remote Similarity 0.6667 NPC143977
Remote Similarity 0.6667 NPC256268
Remote Similarity 0.6648 NPC220151
Remote Similarity 0.6648 NPC19692
Remote Similarity 0.6648 NPC209917
Remote Similarity 0.6647 NPC81229
Remote Similarity 0.6647 NPC255229
Remote Similarity 0.6645 NPC198988
Remote Similarity 0.6629 NPC317010
Remote Similarity 0.6629 NPC477042
Remote Similarity 0.6623 NPC20021
Remote Similarity 0.6612 NPC102592
Remote Similarity 0.6612 NPC79356
Remote Similarity 0.6609 NPC157583
Remote Similarity 0.6608 NPC32534
Remote Similarity 0.6607 NPC478185
Remote Similarity 0.6595 NPC474767
Remote Similarity 0.6595 NPC477045
Remote Similarity 0.6593 NPC326422
Remote Similarity 0.6591 NPC184932
Remote Similarity 0.6591 NPC472861
Remote Similarity 0.659 NPC97106
Remote Similarity 0.6588 NPC478183

Drug Structure

External Identifiers

TTD   DIB005625
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  208.12
ALogP  0.4271
MLogP  2.23
XLogP  1.624
HDA  4
HBD  1
Rotatable Bonds  8
TPSA  54.59
RO5 Violation  0