Drug Information

Drug ID:  NPD1658
Drug Name:  KF-15570
Molecular Formula:  C15H17N3O
Canonical SMILES:  CCCCn1c2ccccc2c2c(c1=O)ncn2C
Standard InCHI:  InChI=1S/C15H17N3O/c1-3-4-9-18-12-8-6-5-7-11(12)14-13(15(18)19)16-10-17(14)2/h5-8,10H,3-4,9H2,1-2H3
Standard InCHIKey:  CVLGNWUGFVTZRC-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1658

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 0.801 NPC116555
Intermediate Similarity 0.7903 NPC476341
Intermediate Similarity 0.7713 NPC133003
Intermediate Similarity 0.7696 NPC267811
Intermediate Similarity 0.7672 NPC135601
Intermediate Similarity 0.7672 NPC17273
Intermediate Similarity 0.7672 NPC141612
Intermediate Similarity 0.7663 NPC469529
Intermediate Similarity 0.7647 NPC191415
Intermediate Similarity 0.7644 NPC324091
Intermediate Similarity 0.7582 NPC56233
Intermediate Similarity 0.7566 NPC21429
Intermediate Similarity 0.7538 NPC317701
Intermediate Similarity 0.7527 NPC151635
Intermediate Similarity 0.7514 NPC252572
Intermediate Similarity 0.7513 NPC102755
Intermediate Similarity 0.7486 NPC114637
Intermediate Similarity 0.7382 NPC477003
Intermediate Similarity 0.7377 NPC478182
Intermediate Similarity 0.7377 NPC478184
Intermediate Similarity 0.7308 NPC293487
Intermediate Similarity 0.7287 NPC317054
Intermediate Similarity 0.7273 NPC102592
Intermediate Similarity 0.7273 NPC128244
Intermediate Similarity 0.7273 NPC79356
Intermediate Similarity 0.7263 NPC265710
Intermediate Similarity 0.725 NPC81535
Intermediate Similarity 0.7235 NPC267078
Intermediate Similarity 0.7235 NPC935
Intermediate Similarity 0.7228 NPC194881
Intermediate Similarity 0.7225 NPC16659
Intermediate Similarity 0.7225 NPC73994
Intermediate Similarity 0.7222 NPC472260
Intermediate Similarity 0.7202 NPC474357
Intermediate Similarity 0.7189 NPC470323
Intermediate Similarity 0.7172 NPC326422
Intermediate Similarity 0.7157 NPC476460
Intermediate Similarity 0.7143 NPC161861
Intermediate Similarity 0.7135 NPC478185
Intermediate Similarity 0.7128 NPC91895
Intermediate Similarity 0.7127 NPC217021
Intermediate Similarity 0.7127 NPC470679
Intermediate Similarity 0.712 NPC473380
Intermediate Similarity 0.712 NPC240088
Intermediate Similarity 0.712 NPC83774
Intermediate Similarity 0.7112 NPC478183
Intermediate Similarity 0.7095 NPC478186
Intermediate Similarity 0.7088 NPC281094
Intermediate Similarity 0.7079 NPC237414
Intermediate Similarity 0.7065 NPC167710
Intermediate Similarity 0.7059 NPC57398
Intermediate Similarity 0.7047 NPC61011
Intermediate Similarity 0.7043 NPC242116
Intermediate Similarity 0.7037 NPC32534
Intermediate Similarity 0.7031 NPC157583
Intermediate Similarity 0.7015 NPC472116
Intermediate Similarity 0.7005 NPC265100
Intermediate Similarity 0.7005 NPC243850
Intermediate Similarity 0.7 NPC471194
Intermediate Similarity 0.7 NPC471193
Intermediate Similarity 0.7 NPC6865
Intermediate Similarity 0.7 NPC153980
Remote Similarity 0.6995 NPC248462
Remote Similarity 0.6995 NPC11126
Remote Similarity 0.6984 NPC70949
Remote Similarity 0.698 NPC134657
Remote Similarity 0.6974 NPC159125
Remote Similarity 0.6959 NPC88110
Remote Similarity 0.6957 NPC476297
Remote Similarity 0.6957 NPC476219
Remote Similarity 0.6952 NPC72956
Remote Similarity 0.6946 NPC474916
Remote Similarity 0.6944 NPC470440
Remote Similarity 0.6943 NPC284775
Remote Similarity 0.694 NPC117032
Remote Similarity 0.6939 NPC46895
Remote Similarity 0.6935 NPC80681
Remote Similarity 0.6932 NPC65408
Remote Similarity 0.6912 NPC477004
Remote Similarity 0.691 NPC238499
Remote Similarity 0.6907 NPC12649
Remote Similarity 0.6901 NPC177996
Remote Similarity 0.6901 NPC147983
Remote Similarity 0.689 NPC71238
Remote Similarity 0.6888 NPC470205
Remote Similarity 0.6887 NPC282247
Remote Similarity 0.6885 NPC473878
Remote Similarity 0.6878 NPC115232
Remote Similarity 0.6872 NPC40530
Remote Similarity 0.6872 NPC314281
Remote Similarity 0.6872 NPC24864
Remote Similarity 0.6866 NPC216550
Remote Similarity 0.6863 NPC474389
Remote Similarity 0.6859 NPC471943
Remote Similarity 0.6856 NPC234987
Remote Similarity 0.6856 NPC237188
Remote Similarity 0.6853 NPC285923
Remote Similarity 0.6853 NPC228835
Remote Similarity 0.6833 NPC69843
Remote Similarity 0.6832 NPC304203
Remote Similarity 0.6825 NPC271797
Remote Similarity 0.6825 NPC21174
Remote Similarity 0.6822 NPC471192
Remote Similarity 0.6822 NPC322064
Remote Similarity 0.6818 NPC99939
Remote Similarity 0.6818 NPC308931
Remote Similarity 0.681 NPC266249
Remote Similarity 0.6809 NPC100104
Remote Similarity 0.6809 NPC470204
Remote Similarity 0.6809 NPC470680
Remote Similarity 0.68 NPC255909
Remote Similarity 0.6798 NPC207554
Remote Similarity 0.6792 NPC54981
Remote Similarity 0.6789 NPC42372
Remote Similarity 0.6782 NPC272458
Remote Similarity 0.6782 NPC207428
Remote Similarity 0.6776 NPC470111
Remote Similarity 0.6772 NPC470203
Remote Similarity 0.6763 NPC471944
Remote Similarity 0.6755 NPC300238
Remote Similarity 0.6753 NPC293216
Remote Similarity 0.6751 NPC113626
Remote Similarity 0.6746 NPC472259
Remote Similarity 0.6745 NPC123839
Remote Similarity 0.6737 NPC74619
Remote Similarity 0.6733 NPC473763
Remote Similarity 0.6733 NPC117244
Remote Similarity 0.672 NPC251391
Remote Similarity 0.6717 NPC143533
Remote Similarity 0.6716 NPC472289
Remote Similarity 0.6716 NPC103119
Remote Similarity 0.6714 NPC471191
Remote Similarity 0.6702 NPC233380
Remote Similarity 0.6701 NPC91179
Remote Similarity 0.6697 NPC323969
Remote Similarity 0.6685 NPC114209
Remote Similarity 0.6685 NPC100726
Remote Similarity 0.6684 NPC28848
Remote Similarity 0.6684 NPC65080
Remote Similarity 0.6684 NPC14325
Remote Similarity 0.6684 NPC164664
Remote Similarity 0.6682 NPC116622
Remote Similarity 0.6682 NPC476817
Remote Similarity 0.6667 NPC269886
Remote Similarity 0.6667 NPC17059
Remote Similarity 0.6667 NPC247735
Remote Similarity 0.6667 NPC473376
Remote Similarity 0.6667 NPC70406
Remote Similarity 0.6667 NPC467188
Remote Similarity 0.6667 NPC188821
Remote Similarity 0.6667 NPC474492
Remote Similarity 0.6667 NPC472295
Remote Similarity 0.6667 NPC474180
Remote Similarity 0.6667 NPC62995
Remote Similarity 0.6667 NPC81802
Remote Similarity 0.6667 NPC472210
Remote Similarity 0.6667 NPC300299
Remote Similarity 0.6624 NPC63109
Remote Similarity 0.662 NPC477979
Remote Similarity 0.6617 NPC66210
Remote Similarity 0.6617 NPC94752
Remote Similarity 0.6617 NPC62749
Remote Similarity 0.6617 NPC478077
Remote Similarity 0.6616 NPC15840
Remote Similarity 0.6613 NPC313889
Remote Similarity 0.6613 NPC40070
Remote Similarity 0.6605 NPC470702
Remote Similarity 0.6605 NPC473218
Remote Similarity 0.6605 NPC118940
Remote Similarity 0.66 NPC258480
Remote Similarity 0.66 NPC467063
Remote Similarity 0.6599 NPC64436
Remote Similarity 0.6597 NPC214106
Remote Similarity 0.6597 NPC225018
Remote Similarity 0.6596 NPC120070
Remote Similarity 0.6595 NPC179787
Remote Similarity 0.6595 NPC201380
Remote Similarity 0.6593 NPC277157
Remote Similarity 0.6592 NPC226184
Remote Similarity 0.6592 NPC76544
Remote Similarity 0.659 NPC470732
Remote Similarity 0.659 NPC470731
Remote Similarity 0.6583 NPC470677
Remote Similarity 0.6582 NPC469938
Remote Similarity 0.6576 NPC204141
Remote Similarity 0.6575 NPC104483
Remote Similarity 0.6574 NPC470703
Remote Similarity 0.657 NPC106824
Remote Similarity 0.6561 NPC327095
Remote Similarity 0.6561 NPC312942
Remote Similarity 0.6561 NPC253987
Remote Similarity 0.6559 NPC321911
Remote Similarity 0.6559 NPC123906
Remote Similarity 0.6557 NPC472064
Remote Similarity 0.6555 NPC121327
Remote Similarity 0.6553 NPC294693
Remote Similarity 0.6552 NPC473666
Remote Similarity 0.655 NPC471609
Remote Similarity 0.6545 NPC122141
Remote Similarity 0.6541 NPC63545

Drug Structure

External Identifiers

TTD   DIB012328
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  255.14
ALogP  -1.0324
MLogP  2.67
XLogP  3.133
HDA  4
HBD  0
Rotatable Bonds  5
TPSA  38.13
RO5 Violation  0