Drug Information

Drug ID:  NPD1923
Drug Name:  
Molecular Formula:  C16H14N2O2
Canonical SMILES:  N#C/C(=Cc1ccc(c(c1)OC)OC)/c1cccnc1
Standard InCHI:  InChI=1S/C16H14N2O2/c1-19-15-6-5-12(9-16(15)20-2)8-14(10-17)13-4-3-7-18-11-13/h3-9,11H,1-2H3/b14-8+
Standard InCHIKey:  DBGZNJVTHYFQJI-RIYZIHGNSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1923

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 0.8523 NPC133140
High Similarity 0.8523 NPC195268
Intermediate Similarity 0.8197 NPC477019
Intermediate Similarity 0.8142 NPC4071
Intermediate Similarity 0.8142 NPC476578
Intermediate Similarity 0.8142 NPC476582
Intermediate Similarity 0.814 NPC312872
Intermediate Similarity 0.8021 NPC16452
Intermediate Similarity 0.8021 NPC476581
Intermediate Similarity 0.8021 NPC36229
Intermediate Similarity 0.8 NPC234197
Intermediate Similarity 0.7989 NPC127085
Intermediate Similarity 0.7906 NPC290689
Intermediate Similarity 0.7861 NPC31930
Intermediate Similarity 0.7842 NPC313189
Intermediate Similarity 0.7809 NPC206201
Intermediate Similarity 0.7778 NPC177404
Intermediate Similarity 0.7771 NPC111624
Intermediate Similarity 0.7749 NPC135549
Intermediate Similarity 0.7735 NPC204385
Intermediate Similarity 0.7732 NPC202768
Intermediate Similarity 0.7732 NPC53069
Intermediate Similarity 0.7732 NPC202605
Intermediate Similarity 0.7732 NPC112206
Intermediate Similarity 0.7732 NPC296482
Intermediate Similarity 0.7732 NPC251160
Intermediate Similarity 0.7692 NPC236668
Intermediate Similarity 0.7692 NPC162530
Intermediate Similarity 0.7653 NPC146976
Intermediate Similarity 0.7644 NPC210256
Intermediate Similarity 0.7641 NPC171409
Intermediate Similarity 0.7641 NPC96405
Intermediate Similarity 0.7602 NPC266931
Intermediate Similarity 0.7576 NPC473513
Intermediate Similarity 0.7566 NPC287437
Intermediate Similarity 0.7538 NPC173080
Intermediate Similarity 0.7538 NPC188420
Intermediate Similarity 0.7538 NPC473822
Intermediate Similarity 0.7463 NPC174049
Intermediate Similarity 0.746 NPC224928
Intermediate Similarity 0.7459 NPC296527
Intermediate Similarity 0.7458 NPC476518
Intermediate Similarity 0.7429 NPC118511
Intermediate Similarity 0.7427 NPC26872
Intermediate Similarity 0.7424 NPC271215
Intermediate Similarity 0.7424 NPC149471
Intermediate Similarity 0.7423 NPC470164
Intermediate Similarity 0.7423 NPC323345
Intermediate Similarity 0.7419 NPC76748
Intermediate Similarity 0.7418 NPC470474
Intermediate Similarity 0.7416 NPC121658
Intermediate Similarity 0.7416 NPC14651
Intermediate Similarity 0.7399 NPC26850
Intermediate Similarity 0.7394 NPC307963
Intermediate Similarity 0.7391 NPC20249
Intermediate Similarity 0.7389 NPC210434
Intermediate Similarity 0.7389 NPC122463
Intermediate Similarity 0.7387 NPC235076
Intermediate Similarity 0.7386 NPC471178
Intermediate Similarity 0.738 NPC92111
Intermediate Similarity 0.7374 NPC316981
Intermediate Similarity 0.7371 NPC124542
Intermediate Similarity 0.7371 NPC329708
Intermediate Similarity 0.7371 NPC165349
Intermediate Similarity 0.7371 NPC471177
Intermediate Similarity 0.7371 NPC264166
Intermediate Similarity 0.7371 NPC274291
Intermediate Similarity 0.7371 NPC47059
Intermediate Similarity 0.7371 NPC59779
Intermediate Similarity 0.7371 NPC118832
Intermediate Similarity 0.7344 NPC176538
Intermediate Similarity 0.7344 NPC315957
Intermediate Similarity 0.7321 NPC471323
Intermediate Similarity 0.7316 NPC13880
Intermediate Similarity 0.7306 NPC232727
Intermediate Similarity 0.7282 NPC285558
Intermediate Similarity 0.7277 NPC23614
Intermediate Similarity 0.7277 NPC267928
Intermediate Similarity 0.7277 NPC204446
Intermediate Similarity 0.7277 NPC100079
Intermediate Similarity 0.7273 NPC224327
Intermediate Similarity 0.7273 NPC470020
Intermediate Similarity 0.7268 NPC222592
Intermediate Similarity 0.7268 NPC168486
Intermediate Similarity 0.7241 NPC46451
Intermediate Similarity 0.7232 NPC473057
Intermediate Similarity 0.7231 NPC245816
Intermediate Similarity 0.7231 NPC475774
Intermediate Similarity 0.7231 NPC476138
Intermediate Similarity 0.7225 NPC201508
Intermediate Similarity 0.7225 NPC473053
Intermediate Similarity 0.7225 NPC251090
Intermediate Similarity 0.7211 NPC289786
Intermediate Similarity 0.7206 NPC54066
Intermediate Similarity 0.7178 NPC170114
Intermediate Similarity 0.7177 NPC24019
Intermediate Similarity 0.7172 NPC82548
Intermediate Similarity 0.7167 NPC314940
Intermediate Similarity 0.7167 NPC473764
Intermediate Similarity 0.7156 NPC255800
Intermediate Similarity 0.7156 NPC96584
Intermediate Similarity 0.7151 NPC284559
Intermediate Similarity 0.7136 NPC118121
Intermediate Similarity 0.7136 NPC174758
Intermediate Similarity 0.7135 NPC219963
Intermediate Similarity 0.7135 NPC266551
Intermediate Similarity 0.7135 NPC161887
Intermediate Similarity 0.7129 NPC470549
Intermediate Similarity 0.7129 NPC246381
Intermediate Similarity 0.7121 NPC193238
Intermediate Similarity 0.712 NPC226202
Intermediate Similarity 0.71 NPC11464
Intermediate Similarity 0.71 NPC167860
Intermediate Similarity 0.71 NPC123976
Intermediate Similarity 0.7095 NPC278525
Intermediate Similarity 0.7089 NPC295228
Intermediate Similarity 0.7077 NPC19872
Intermediate Similarity 0.7075 NPC22481
Intermediate Similarity 0.7065 NPC208284
Intermediate Similarity 0.7056 NPC108469
Intermediate Similarity 0.7039 NPC97367
Intermediate Similarity 0.7033 NPC258773
Intermediate Similarity 0.7028 NPC233334
Intermediate Similarity 0.7009 NPC108342
Intermediate Similarity 0.7005 NPC176127
Remote Similarity 0.699 NPC308906
Remote Similarity 0.699 NPC17565
Remote Similarity 0.6977 NPC189903
Remote Similarity 0.6977 NPC182907
Remote Similarity 0.6968 NPC84478
Remote Similarity 0.6965 NPC185782
Remote Similarity 0.6963 NPC90875
Remote Similarity 0.6963 NPC253675
Remote Similarity 0.6959 NPC194967
Remote Similarity 0.6947 NPC206251
Remote Similarity 0.6947 NPC74382
Remote Similarity 0.6946 NPC26679
Remote Similarity 0.6944 NPC166722
Remote Similarity 0.694 NPC252590
Remote Similarity 0.6935 NPC472168
Remote Similarity 0.6934 NPC469792
Remote Similarity 0.6933 NPC172403
Remote Similarity 0.6933 NPC212125
Remote Similarity 0.6932 NPC476568
Remote Similarity 0.6931 NPC42591
Remote Similarity 0.6927 NPC274982
Remote Similarity 0.6919 NPC66815
Remote Similarity 0.6919 NPC135887
Remote Similarity 0.6919 NPC199277
Remote Similarity 0.6915 NPC287208
Remote Similarity 0.6915 NPC476465
Remote Similarity 0.6912 NPC476287
Remote Similarity 0.6908 NPC213530
Remote Similarity 0.6908 NPC193267
Remote Similarity 0.6891 NPC99666
Remote Similarity 0.6891 NPC114335
Remote Similarity 0.6891 NPC280964
Remote Similarity 0.6891 NPC141915
Remote Similarity 0.689 NPC280272
Remote Similarity 0.6882 NPC283152
Remote Similarity 0.6881 NPC119134
Remote Similarity 0.6881 NPC174672
Remote Similarity 0.6878 NPC62069
Remote Similarity 0.6872 NPC470018
Remote Similarity 0.6859 NPC66083
Remote Similarity 0.6857 NPC65277
Remote Similarity 0.6856 NPC329541
Remote Similarity 0.6842 NPC314002
Remote Similarity 0.684 NPC74575
Remote Similarity 0.6837 NPC172222
Remote Similarity 0.6833 NPC25899
Remote Similarity 0.6832 NPC18348
Remote Similarity 0.6829 NPC471311
Remote Similarity 0.6829 NPC471313
Remote Similarity 0.6821 NPC326634
Remote Similarity 0.6818 NPC121772
Remote Similarity 0.6818 NPC329793
Remote Similarity 0.6818 NPC15406
Remote Similarity 0.6818 NPC329747
Remote Similarity 0.6816 NPC472111
Remote Similarity 0.6813 NPC24954
Remote Similarity 0.681 NPC151489
Remote Similarity 0.6807 NPC476570
Remote Similarity 0.6806 NPC61350
Remote Similarity 0.6804 NPC210296
Remote Similarity 0.6798 NPC469589
Remote Similarity 0.6789 NPC204717
Remote Similarity 0.6788 NPC134079
Remote Similarity 0.6787 NPC124313
Remote Similarity 0.6777 NPC322482
Remote Similarity 0.6773 NPC84164
Remote Similarity 0.6773 NPC207283
Remote Similarity 0.6771 NPC270515
Remote Similarity 0.6768 NPC301713
Remote Similarity 0.6766 NPC256893
Remote Similarity 0.6763 NPC470799
Remote Similarity 0.6763 NPC8022
Remote Similarity 0.6762 NPC60621
Remote Similarity 0.6758 NPC263439
Remote Similarity 0.6753 NPC469390

Drug Structure

External Identifiers

TTD   DNC003814
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5468216
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  266.11
ALogP  0.2033
MLogP  2.78
XLogP  2.756
HDA  2
HBD  0
Rotatable Bonds  6
TPSA  55.14
RO5 Violation  0