Drug Information

Drug ID:  NPD1916
Drug Name:  CNS-1531
Molecular Formula:  C16H14FN
Canonical SMILES:  Fc1ccc2c(c1)C1CNC(C2)c2c1cccc2
Standard InCHI:  InChI=1S/C16H14FN/c17-11-6-5-10-7-16-13-4-2-1-3-12(13)15(9-18-16)14(10)8-11/h1-6,8,15-16,18H,7,9H2
Standard InCHIKey:  WSTMLPIHCJDBFV-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1916

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 0.9255 NPC329430
High Similarity 0.8602 NPC258046
High Similarity 0.8542 NPC470926
Intermediate Similarity 0.8191 NPC169016
Intermediate Similarity 0.8 NPC133162
Intermediate Similarity 0.7895 NPC104070
Intermediate Similarity 0.781 NPC239854
Intermediate Similarity 0.7708 NPC119677
Intermediate Similarity 0.7553 NPC12857
Intermediate Similarity 0.7476 NPC322040
Intermediate Similarity 0.7458 NPC475915
Intermediate Similarity 0.7447 NPC98269
Intermediate Similarity 0.7447 NPC325662
Intermediate Similarity 0.734 NPC139658
Intermediate Similarity 0.7203 NPC320656
Intermediate Similarity 0.7128 NPC112609
Intermediate Similarity 0.7128 NPC113000
Intermediate Similarity 0.7128 NPC122327
Intermediate Similarity 0.7117 NPC474695
Intermediate Similarity 0.7083 NPC290638
Intermediate Similarity 0.7059 NPC60408
Intermediate Similarity 0.7053 NPC98976
Intermediate Similarity 0.7 NPC291610
Remote Similarity 0.6991 NPC79618
Remote Similarity 0.6991 NPC434
Remote Similarity 0.6989 NPC229235
Remote Similarity 0.6989 NPC219246
Remote Similarity 0.6981 NPC469330
Remote Similarity 0.6979 NPC271642
Remote Similarity 0.6916 NPC108339
Remote Similarity 0.6875 NPC276699
Remote Similarity 0.68 NPC231986
Remote Similarity 0.6783 NPC302790
Remote Similarity 0.6762 NPC176858
Remote Similarity 0.6748 NPC314192
Remote Similarity 0.6729 NPC108800
Remote Similarity 0.6698 NPC191444
Remote Similarity 0.6697 NPC471320
Remote Similarity 0.6697 NPC471319
Remote Similarity 0.6614 NPC252794
Remote Similarity 0.6612 NPC313673
Remote Similarity 0.6607 NPC474582
Remote Similarity 0.6429 NPC299134
Remote Similarity 0.6412 NPC126458
Remote Similarity 0.6397 NPC211468
Remote Similarity 0.6397 NPC219233
Remote Similarity 0.6397 NPC170170
Remote Similarity 0.6385 NPC40488
Remote Similarity 0.6379 NPC167336
Remote Similarity 0.6379 NPC473418
Remote Similarity 0.6371 NPC264580
Remote Similarity 0.6364 NPC7067
Remote Similarity 0.6355 NPC30445
Remote Similarity 0.635 NPC323123
Remote Similarity 0.6327 NPC244738
Remote Similarity 0.6303 NPC24777
Remote Similarity 0.6289 NPC72670
Remote Similarity 0.6277 NPC291066
Remote Similarity 0.6262 NPC17497
Remote Similarity 0.6262 NPC305602
Remote Similarity 0.6237 NPC71009
Remote Similarity 0.6226 NPC229477
Remote Similarity 0.6216 NPC471309
Remote Similarity 0.6202 NPC217277
Remote Similarity 0.6194 NPC149379
Remote Similarity 0.6186 NPC246822
Remote Similarity 0.6186 NPC139416
Remote Similarity 0.6186 NPC213570
Remote Similarity 0.6183 NPC145754
Remote Similarity 0.617 NPC113670
Remote Similarity 0.6168 NPC203076
Remote Similarity 0.6167 NPC65855
Remote Similarity 0.6167 NPC292758
Remote Similarity 0.6162 NPC54269
Remote Similarity 0.616 NPC313449
Remote Similarity 0.6154 NPC109787
Remote Similarity 0.6129 NPC246588
Remote Similarity 0.6129 NPC101139
Remote Similarity 0.6122 NPC251490
Remote Similarity 0.6122 NPC263385
Remote Similarity 0.6117 NPC159661
Remote Similarity 0.6111 NPC473031
Remote Similarity 0.6105 NPC155172
Remote Similarity 0.61 NPC96835
Remote Similarity 0.61 NPC258492
Remote Similarity 0.6098 NPC187036
Remote Similarity 0.6083 NPC77294
Remote Similarity 0.6078 NPC249018
Remote Similarity 0.6078 NPC3190
Remote Similarity 0.6077 NPC192533
Remote Similarity 0.6064 NPC22786
Remote Similarity 0.6061 NPC39799
Remote Similarity 0.6061 NPC1008
Remote Similarity 0.6061 NPC226999
Remote Similarity 0.6061 NPC158028
Remote Similarity 0.6061 NPC87099
Remote Similarity 0.6061 NPC193578
Remote Similarity 0.6061 NPC135433
Remote Similarity 0.6061 NPC280135
Remote Similarity 0.6058 NPC478140
Remote Similarity 0.6055 NPC111233
Remote Similarity 0.6053 NPC311242
Remote Similarity 0.605 NPC473498
Remote Similarity 0.6048 NPC246904
Remote Similarity 0.6047 NPC268534
Remote Similarity 0.604 NPC307195
Remote Similarity 0.6038 NPC474088
Remote Similarity 0.6038 NPC134825
Remote Similarity 0.6032 NPC192209
Remote Similarity 0.6031 NPC79698
Remote Similarity 0.6029 NPC313352
Remote Similarity 0.6019 NPC255345
Remote Similarity 0.6019 NPC66270
Remote Similarity 0.6019 NPC245896
Remote Similarity 0.6017 NPC226778
Remote Similarity 0.6017 NPC150254
Remote Similarity 0.6017 NPC304761
Remote Similarity 0.6017 NPC147000
Remote Similarity 0.6017 NPC275467
Remote Similarity 0.6016 NPC326232
Remote Similarity 0.6014 NPC264589
Remote Similarity 0.6 NPC470877
Remote Similarity 0.6 NPC1901
Remote Similarity 0.5985 NPC146373
Remote Similarity 0.5985 NPC166424
Remote Similarity 0.5985 NPC119326
Remote Similarity 0.5985 NPC245244
Remote Similarity 0.5979 NPC267443
Remote Similarity 0.5969 NPC71684
Remote Similarity 0.5969 NPC273830
Remote Similarity 0.5966 NPC67043
Remote Similarity 0.5959 NPC207824
Remote Similarity 0.5959 NPC60538
Remote Similarity 0.5959 NPC33421
Remote Similarity 0.5957 NPC238023
Remote Similarity 0.5957 NPC135924
Remote Similarity 0.5957 NPC310758
Remote Similarity 0.5956 NPC33338
Remote Similarity 0.5956 NPC302171
Remote Similarity 0.5956 NPC300020
Remote Similarity 0.5946 NPC78041
Remote Similarity 0.5946 NPC74936
Remote Similarity 0.5946 NPC471307
Remote Similarity 0.5946 NPC141139
Remote Similarity 0.5946 NPC209764
Remote Similarity 0.5946 NPC159178
Remote Similarity 0.5946 NPC121872
Remote Similarity 0.5944 NPC313850
Remote Similarity 0.594 NPC478079
Remote Similarity 0.5929 NPC291070
Remote Similarity 0.5929 NPC246757
Remote Similarity 0.5915 NPC473868
Remote Similarity 0.5915 NPC63157
Remote Similarity 0.5914 NPC36357
Remote Similarity 0.5914 NPC114327
Remote Similarity 0.5905 NPC50063
Remote Similarity 0.5905 NPC315216
Remote Similarity 0.5899 NPC325252
Remote Similarity 0.5896 NPC268763
Remote Similarity 0.5896 NPC328590
Remote Similarity 0.5896 NPC66177
Remote Similarity 0.5896 NPC8305
Remote Similarity 0.5895 NPC66517
Remote Similarity 0.5882 NPC282398
Remote Similarity 0.5882 NPC469974
Remote Similarity 0.5882 NPC473962
Remote Similarity 0.5878 NPC76213
Remote Similarity 0.5878 NPC277669
Remote Similarity 0.5874 NPC311330
Remote Similarity 0.5873 NPC473573
Remote Similarity 0.5873 NPC288232
Remote Similarity 0.5859 NPC473206
Remote Similarity 0.5859 NPC200936
Remote Similarity 0.5854 NPC319579
Remote Similarity 0.5852 NPC124802
Remote Similarity 0.585 NPC206592
Remote Similarity 0.5847 NPC327226
Remote Similarity 0.5841 NPC473661
Remote Similarity 0.584 NPC296163
Remote Similarity 0.5839 NPC101165
Remote Similarity 0.5833 NPC88566
Remote Similarity 0.5833 NPC476198
Remote Similarity 0.5833 NPC21211
Remote Similarity 0.5828 NPC56765
Remote Similarity 0.5825 NPC110264
Remote Similarity 0.5822 NPC21605
Remote Similarity 0.5818 NPC262295
Remote Similarity 0.5816 NPC6107
Remote Similarity 0.5816 NPC130251
Remote Similarity 0.5814 NPC143603
Remote Similarity 0.5814 NPC91958
Remote Similarity 0.5812 NPC323726
Remote Similarity 0.5811 NPC470233
Remote Similarity 0.5809 NPC89769
Remote Similarity 0.5809 NPC126859
Remote Similarity 0.5809 NPC259665
Remote Similarity 0.5804 NPC316108
Remote Similarity 0.58 NPC2295
Remote Similarity 0.58 NPC477564
Remote Similarity 0.5797 NPC474473

Drug Structure

External Identifiers

TTD   DIB013170
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  239.11
ALogP  0.0486
MLogP  3
XLogP  4.551
HDA  1
HBD  1
Rotatable Bonds  1
TPSA  12.03
RO5 Violation  0