Drug Information

Drug ID:  NPD1292
Drug Name:  
Molecular Formula:  C14H15N3O
Canonical SMILES:  O=C(c1ccc2c(c1)nccn2)N1CCCCC1
Standard InCHI:  InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
Standard InCHIKey:  ANDGGVOPIJEHOF-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1292

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 0.8476 NPC56233
Intermediate Similarity 0.7952 NPC293487
Intermediate Similarity 0.7907 NPC469529
Intermediate Similarity 0.7857 NPC128244
Intermediate Similarity 0.7816 NPC237188
Intermediate Similarity 0.7811 NPC478182
Intermediate Similarity 0.7758 NPC472260
Intermediate Similarity 0.7751 NPC478185
Intermediate Similarity 0.7727 NPC73994
Intermediate Similarity 0.7719 NPC114637
Intermediate Similarity 0.7719 NPC478183
Intermediate Similarity 0.7706 NPC265100
Intermediate Similarity 0.7706 NPC478184
Intermediate Similarity 0.7674 NPC70949
Intermediate Similarity 0.7673 NPC65408
Intermediate Similarity 0.763 NPC32534
Intermediate Similarity 0.7614 NPC157583
Intermediate Similarity 0.7596 NPC216550
Intermediate Similarity 0.7545 NPC70406
Intermediate Similarity 0.7544 NPC194881
Intermediate Similarity 0.7529 NPC80681
Intermediate Similarity 0.7529 NPC91895
Intermediate Similarity 0.75 NPC251391
Intermediate Similarity 0.7486 NPC191415
Intermediate Similarity 0.7485 NPC313889
Intermediate Similarity 0.7474 NPC317701
Intermediate Similarity 0.7444 NPC102755
Intermediate Similarity 0.743 NPC24864
Intermediate Similarity 0.7416 NPC83774
Intermediate Similarity 0.7403 NPC467063
Intermediate Similarity 0.7403 NPC477003
Intermediate Similarity 0.7374 NPC12649
Intermediate Similarity 0.7366 NPC326422
Intermediate Similarity 0.7349 NPC467188
Intermediate Similarity 0.7341 NPC242116
Intermediate Similarity 0.734 NPC106824
Intermediate Similarity 0.7333 NPC61011
Intermediate Similarity 0.7321 NPC123906
Intermediate Similarity 0.7318 NPC219848
Intermediate Similarity 0.7312 NPC272458
Intermediate Similarity 0.7305 NPC478186
Intermediate Similarity 0.7297 NPC324091
Intermediate Similarity 0.7278 NPC256268
Intermediate Similarity 0.7268 NPC99939
Intermediate Similarity 0.7268 NPC308931
Intermediate Similarity 0.7268 NPC133003
Intermediate Similarity 0.7263 NPC284338
Intermediate Similarity 0.7262 NPC105811
Intermediate Similarity 0.7258 NPC476460
Intermediate Similarity 0.7253 NPC470205
Intermediate Similarity 0.7247 NPC161861
Intermediate Similarity 0.7243 NPC255909
Intermediate Similarity 0.7243 NPC103119
Intermediate Similarity 0.7239 NPC251722
Intermediate Similarity 0.7239 NPC314102
Intermediate Similarity 0.7228 NPC135601
Intermediate Similarity 0.7228 NPC17273
Intermediate Similarity 0.7228 NPC141612
Intermediate Similarity 0.7213 NPC46895
Intermediate Similarity 0.7211 NPC474916
Intermediate Similarity 0.7207 NPC293216
Intermediate Similarity 0.7205 NPC330326
Intermediate Similarity 0.72 NPC271797
Intermediate Similarity 0.72 NPC21174
Intermediate Similarity 0.7195 NPC169433
Intermediate Similarity 0.7188 NPC282398
Intermediate Similarity 0.7182 NPC248462
Intermediate Similarity 0.7182 NPC11126
Intermediate Similarity 0.7179 NPC46358
Intermediate Similarity 0.7176 NPC473878
Intermediate Similarity 0.7173 NPC81535
Intermediate Similarity 0.717 NPC471589
Intermediate Similarity 0.717 NPC313823
Intermediate Similarity 0.7167 NPC151635
Intermediate Similarity 0.7159 NPC42372
Intermediate Similarity 0.7159 NPC233380
Intermediate Similarity 0.7158 NPC243058
Intermediate Similarity 0.7158 NPC167710
Intermediate Similarity 0.715 NPC57398
Intermediate Similarity 0.715 NPC472062
Intermediate Similarity 0.715 NPC472063
Intermediate Similarity 0.715 NPC472069
Intermediate Similarity 0.7135 NPC217021
Intermediate Similarity 0.7135 NPC62749
Intermediate Similarity 0.7135 NPC118084
Intermediate Similarity 0.7135 NPC470679
Intermediate Similarity 0.7128 NPC472065
Intermediate Similarity 0.7128 NPC472064
Intermediate Similarity 0.712 NPC203635
Intermediate Similarity 0.712 NPC21429
Intermediate Similarity 0.7108 NPC238499
Intermediate Similarity 0.7068 NPC134657
Intermediate Similarity 0.7065 NPC147983
Intermediate Similarity 0.7065 NPC177996
Intermediate Similarity 0.7059 NPC470111
Intermediate Similarity 0.7059 NPC100726
Intermediate Similarity 0.7056 NPC252572
Intermediate Similarity 0.7052 NPC209362
Intermediate Similarity 0.7047 NPC121327
Intermediate Similarity 0.7043 NPC90415
Intermediate Similarity 0.7041 NPC470440
Intermediate Similarity 0.7037 NPC256893
Intermediate Similarity 0.7033 NPC284775
Intermediate Similarity 0.7031 NPC34837
Intermediate Similarity 0.7027 NPC228835
Intermediate Similarity 0.7016 NPC79356
Intermediate Similarity 0.7016 NPC102592
Intermediate Similarity 0.7011 NPC470677
Intermediate Similarity 0.7 NPC63545
Remote Similarity 0.6994 NPC281094
Remote Similarity 0.6977 NPC40070
Remote Similarity 0.6974 NPC143977
Remote Similarity 0.6971 NPC213914
Remote Similarity 0.6964 NPC88121
Remote Similarity 0.6959 NPC179787
Remote Similarity 0.6959 NPC469811
Remote Similarity 0.6959 NPC201380
Remote Similarity 0.6954 NPC238457
Remote Similarity 0.6954 NPC229055
Remote Similarity 0.6935 NPC472070
Remote Similarity 0.6927 NPC41717
Remote Similarity 0.6923 NPC297034
Remote Similarity 0.6919 NPC321911
Remote Similarity 0.6918 NPC476322
Remote Similarity 0.6915 NPC17059
Remote Similarity 0.6914 NPC74357
Remote Similarity 0.6911 NPC304203
Remote Similarity 0.6907 NPC237414
Remote Similarity 0.6907 NPC477004
Remote Similarity 0.6897 NPC325903
Remote Similarity 0.6895 NPC117244
Remote Similarity 0.6895 NPC473763
Remote Similarity 0.6893 NPC470680
Remote Similarity 0.6893 NPC100104
Remote Similarity 0.6879 NPC471655
Remote Similarity 0.6875 NPC76982
Remote Similarity 0.6862 NPC478077
Remote Similarity 0.6859 NPC91958
Remote Similarity 0.6848 NPC64436
Remote Similarity 0.6848 NPC234987
Remote Similarity 0.6845 NPC258480
Remote Similarity 0.6842 NPC86288
Remote Similarity 0.6839 NPC472116
Remote Similarity 0.6836 NPC474492
Remote Similarity 0.6823 NPC198673
Remote Similarity 0.6821 NPC268744
Remote Similarity 0.6821 NPC153123
Remote Similarity 0.6821 NPC474318
Remote Similarity 0.6821 NPC220797
Remote Similarity 0.6821 NPC475914
Remote Similarity 0.6821 NPC201266
Remote Similarity 0.6818 NPC143156
Remote Similarity 0.6813 NPC249614
Remote Similarity 0.681 NPC476131
Remote Similarity 0.6809 NPC476341
Remote Similarity 0.6802 NPC328318
Remote Similarity 0.6802 NPC328596
Remote Similarity 0.6788 NPC322488
Remote Similarity 0.6788 NPC202812
Remote Similarity 0.6786 NPC77241
Remote Similarity 0.6786 NPC166209
Remote Similarity 0.6786 NPC269203
Remote Similarity 0.6786 NPC13456
Remote Similarity 0.678 NPC236711
Remote Similarity 0.6774 NPC15840
Remote Similarity 0.6772 NPC66210
Remote Similarity 0.6771 NPC471386
Remote Similarity 0.677 NPC245244
Remote Similarity 0.677 NPC146373
Remote Similarity 0.677 NPC166424
Remote Similarity 0.6768 NPC69914
Remote Similarity 0.6765 NPC277157
Remote Similarity 0.676 NPC225018
Remote Similarity 0.6758 NPC116961
Remote Similarity 0.6758 NPC471943
Remote Similarity 0.6757 NPC240088
Remote Similarity 0.6757 NPC473380
Remote Similarity 0.6755 NPC472119
Remote Similarity 0.6755 NPC207851
Remote Similarity 0.6754 NPC83111
Remote Similarity 0.6752 NPC143603
Remote Similarity 0.6749 NPC118940
Remote Similarity 0.6743 NPC470233
Remote Similarity 0.6742 NPC477591
Remote Similarity 0.6739 NPC139763
Remote Similarity 0.6738 NPC113626
Remote Similarity 0.6734 NPC327592
Remote Similarity 0.6734 NPC472259
Remote Similarity 0.673 NPC48564
Remote Similarity 0.673 NPC265605
Remote Similarity 0.673 NPC182570
Remote Similarity 0.673 NPC476491
Remote Similarity 0.6726 NPC472288
Remote Similarity 0.6726 NPC114310
Remote Similarity 0.6725 NPC20144
Remote Similarity 0.6724 NPC288445
Remote Similarity 0.6723 NPC51054
Remote Similarity 0.672 NPC265710
Remote Similarity 0.672 NPC282103
Remote Similarity 0.6716 NPC221100

Drug Structure

External Identifiers

TTD   DCL000760
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   148184
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  241.12
ALogP  -1.4756
MLogP  2.56
XLogP  1.839
HDA  4
HBD  0
Rotatable Bonds  2
TPSA  46.09
RO5 Violation  0