Drug Information

Drug ID:  NPD4305
Drug Name:  
Molecular Formula:  C21H14ClNO3
Canonical SMILES:  Clc1ccc2c(c1)nc(c(c2O)c1cccc(c1)Oc1ccccc1)O
Standard InCHI:  InChI=1S/C21H14ClNO3/c22-14-9-10-17-18(12-14)23-21(25)19(20(17)24)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25)
Standard InCHIKey:  FLVRDMUHUXVRET-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD4305

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 0.8324 NPC288943
Intermediate Similarity 0.8316 NPC66083
Intermediate Similarity 0.828 NPC283152
Intermediate Similarity 0.8158 NPC62069
Intermediate Similarity 0.8073 NPC61350
Intermediate Similarity 0.8051 NPC141915
Intermediate Similarity 0.8051 NPC114335
Intermediate Similarity 0.8051 NPC280964
Intermediate Similarity 0.801 NPC469440
Intermediate Similarity 0.8 NPC469390
Intermediate Similarity 0.7927 NPC42591
Intermediate Similarity 0.7882 NPC137929
Intermediate Similarity 0.7882 NPC164374
Intermediate Similarity 0.7828 NPC79293
Intermediate Similarity 0.7828 NPC279401
Intermediate Similarity 0.7772 NPC26850
Intermediate Similarity 0.7767 NPC470931
Intermediate Similarity 0.7721 NPC473449
Intermediate Similarity 0.761 NPC66815
Intermediate Similarity 0.7524 NPC475085
Intermediate Similarity 0.7524 NPC475112
Intermediate Similarity 0.7524 NPC291535
Intermediate Similarity 0.7523 NPC473822
Intermediate Similarity 0.7514 NPC26872
Intermediate Similarity 0.7513 NPC312872
Intermediate Similarity 0.75 NPC472111
Intermediate Similarity 0.75 NPC304183
Intermediate Similarity 0.7488 NPC223427
Intermediate Similarity 0.7451 NPC224928
Intermediate Similarity 0.7427 NPC11017
Intermediate Similarity 0.7402 NPC473053
Intermediate Similarity 0.7387 NPC201508
Intermediate Similarity 0.7373 NPC469439
Intermediate Similarity 0.7371 NPC48353
Intermediate Similarity 0.7366 NPC243834
Intermediate Similarity 0.7366 NPC70956
Intermediate Similarity 0.7364 NPC200888
Intermediate Similarity 0.735 NPC204385
Intermediate Similarity 0.7327 NPC148409
Intermediate Similarity 0.7323 NPC206201
Intermediate Similarity 0.7308 NPC60553
Intermediate Similarity 0.7308 NPC267423
Intermediate Similarity 0.7304 NPC289786
Intermediate Similarity 0.7297 NPC476997
Intermediate Similarity 0.7294 NPC174049
Intermediate Similarity 0.729 NPC203168
Intermediate Similarity 0.7277 NPC177404
Intermediate Similarity 0.7277 NPC219664
Intermediate Similarity 0.7273 NPC135887
Intermediate Similarity 0.7273 NPC199277
Intermediate Similarity 0.7273 NPC478032
Intermediate Similarity 0.7265 NPC476996
Intermediate Similarity 0.7265 NPC476998
Intermediate Similarity 0.7251 NPC476106
Intermediate Similarity 0.7246 NPC72211
Intermediate Similarity 0.7244 NPC255800
Intermediate Similarity 0.7244 NPC96584
Intermediate Similarity 0.724 NPC118511
Intermediate Similarity 0.7238 NPC162484
Intermediate Similarity 0.7233 NPC70259
Intermediate Similarity 0.723 NPC209769
Intermediate Similarity 0.7227 NPC122463
Intermediate Similarity 0.722 NPC476994
Intermediate Similarity 0.7217 NPC193777
Intermediate Similarity 0.7209 NPC112206
Intermediate Similarity 0.7209 NPC202605
Intermediate Similarity 0.7204 NPC329708
Intermediate Similarity 0.7204 NPC47059
Intermediate Similarity 0.7204 NPC165349
Intermediate Similarity 0.7204 NPC264166
Intermediate Similarity 0.7204 NPC274291
Intermediate Similarity 0.7204 NPC118832
Intermediate Similarity 0.7184 NPC205934
Intermediate Similarity 0.7184 NPC43787
Intermediate Similarity 0.7182 NPC477532
Intermediate Similarity 0.7169 NPC473179
Intermediate Similarity 0.7169 NPC193267
Intermediate Similarity 0.7169 NPC213530
Intermediate Similarity 0.7164 NPC320394
Intermediate Similarity 0.7162 NPC97746
Intermediate Similarity 0.715 NPC201697
Intermediate Similarity 0.7143 NPC252251
Intermediate Similarity 0.7129 NPC128823
Intermediate Similarity 0.7129 NPC280714
Intermediate Similarity 0.7111 NPC209174
Intermediate Similarity 0.7107 NPC474409
Intermediate Similarity 0.7101 NPC131017
Intermediate Similarity 0.708 NPC477531
Intermediate Similarity 0.7073 NPC471593
Intermediate Similarity 0.7062 NPC476044
Intermediate Similarity 0.7059 NPC161292
Intermediate Similarity 0.7056 NPC474595
Intermediate Similarity 0.705 NPC88363
Intermediate Similarity 0.7042 NPC36229
Intermediate Similarity 0.7042 NPC476581
Intermediate Similarity 0.7042 NPC16452
Intermediate Similarity 0.7042 NPC285558
Intermediate Similarity 0.703 NPC176127
Intermediate Similarity 0.7024 NPC110741
Intermediate Similarity 0.7018 NPC474594
Intermediate Similarity 0.7014 NPC234197
Intermediate Similarity 0.7011 NPC280853
Intermediate Similarity 0.7009 NPC475841
Intermediate Similarity 0.7009 NPC474145
Intermediate Similarity 0.7005 NPC195268
Intermediate Similarity 0.7005 NPC133140
Intermediate Similarity 0.7 NPC476995
Remote Similarity 0.6996 NPC118121
Remote Similarity 0.6995 NPC475774
Remote Similarity 0.6995 NPC84478
Remote Similarity 0.6991 NPC469589
Remote Similarity 0.6987 NPC277351
Remote Similarity 0.6973 NPC285016
Remote Similarity 0.6973 NPC245657
Remote Similarity 0.6971 NPC475190
Remote Similarity 0.6968 NPC204446
Remote Similarity 0.6967 NPC4071
Remote Similarity 0.6967 NPC476582
Remote Similarity 0.6967 NPC476578
Remote Similarity 0.6963 NPC470930
Remote Similarity 0.6961 NPC94943
Remote Similarity 0.6959 NPC290689
Remote Similarity 0.6957 NPC471596
Remote Similarity 0.6955 NPC470799
Remote Similarity 0.6955 NPC8022
Remote Similarity 0.6952 NPC474188
Remote Similarity 0.6947 NPC473185
Remote Similarity 0.6946 NPC212535
Remote Similarity 0.6946 NPC133306
Remote Similarity 0.6944 NPC475910
Remote Similarity 0.6942 NPC242928
Remote Similarity 0.6937 NPC298436
Remote Similarity 0.6934 NPC329747
Remote Similarity 0.6927 NPC194040
Remote Similarity 0.692 NPC280272
Remote Similarity 0.6912 NPC190007
Remote Similarity 0.6911 NPC153769
Remote Similarity 0.6909 NPC16066
Remote Similarity 0.6906 NPC132642
Remote Similarity 0.6905 NPC251090
Remote Similarity 0.6901 NPC470586
Remote Similarity 0.6901 NPC31930
Remote Similarity 0.6898 NPC193238
Remote Similarity 0.6897 NPC474798
Remote Similarity 0.6892 NPC469594
Remote Similarity 0.6881 NPC470020
Remote Similarity 0.6881 NPC167860
Remote Similarity 0.6881 NPC269367
Remote Similarity 0.6881 NPC72980
Remote Similarity 0.6881 NPC123976
Remote Similarity 0.6872 NPC153042
Remote Similarity 0.6869 NPC44161
Remote Similarity 0.6864 NPC471080
Remote Similarity 0.6864 NPC478074
Remote Similarity 0.6864 NPC469592
Remote Similarity 0.6862 NPC471598
Remote Similarity 0.686 NPC128751
Remote Similarity 0.686 NPC246700
Remote Similarity 0.6856 NPC476999
Remote Similarity 0.6856 NPC300114
Remote Similarity 0.6854 NPC329793
Remote Similarity 0.6854 NPC249040
Remote Similarity 0.6847 NPC168486
Remote Similarity 0.6847 NPC222592
Remote Similarity 0.6845 NPC314573
Remote Similarity 0.6833 NPC235076
Remote Similarity 0.683 NPC477533
Remote Similarity 0.6827 NPC106833
Remote Similarity 0.6827 NPC469497
Remote Similarity 0.6824 NPC11408
Remote Similarity 0.6818 NPC296482
Remote Similarity 0.6818 NPC94157
Remote Similarity 0.6818 NPC96405
Remote Similarity 0.6818 NPC108469
Remote Similarity 0.6818 NPC202768
Remote Similarity 0.6818 NPC171409
Remote Similarity 0.6818 NPC53069
Remote Similarity 0.6814 NPC118776
Remote Similarity 0.6814 NPC205372
Remote Similarity 0.6814 NPC144114
Remote Similarity 0.6812 NPC469792
Remote Similarity 0.681 NPC307963
Remote Similarity 0.6808 NPC287437
Remote Similarity 0.6804 NPC199667
Remote Similarity 0.6804 NPC188420
Remote Similarity 0.6802 NPC159319
Remote Similarity 0.6797 NPC473182
Remote Similarity 0.6787 NPC266931
Remote Similarity 0.6782 NPC56618
Remote Similarity 0.678 NPC188400
Remote Similarity 0.6776 NPC176538
Remote Similarity 0.6776 NPC477019
Remote Similarity 0.6774 NPC471594
Remote Similarity 0.6773 NPC87413
Remote Similarity 0.6773 NPC208284
Remote Similarity 0.6766 NPC99891
Remote Similarity 0.6766 NPC217554
Remote Similarity 0.6762 NPC99666
Remote Similarity 0.6758 NPC185782
Remote Similarity 0.6758 NPC473181

Drug Structure

External Identifiers

TTD   DNC012602
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   54682505
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  363.07
ALogP  -0.3304
MLogP  3.22
XLogP  5.761
HDA  1
HBD  2
Rotatable Bonds  6
TPSA  62.58
RO5 Violation  1