Drug Information

Drug ID:  NPD505
Drug Name:  
Molecular Formula:  C11H13F2N
Canonical SMILES:  NC/C(=C/F)/CCc1ccc(cc1)F
Standard InCHI:  InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
Standard InCHIKey:  VXLBSYHAEKDUSU-JXMROGBWSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD505

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 0.9 NPC229235
High Similarity 0.8732 NPC219246
High Similarity 0.863 NPC112609
High Similarity 0.863 NPC122327
High Similarity 0.863 NPC113000
High Similarity 0.8533 NPC325662
High Similarity 0.8533 NPC98269
High Similarity 0.8514 NPC276699
Intermediate Similarity 0.84 NPC139658
Intermediate Similarity 0.8289 NPC290638
Intermediate Similarity 0.8182 NPC12857
Intermediate Similarity 0.8 NPC244738
Intermediate Similarity 0.7901 NPC119677
Intermediate Similarity 0.7805 NPC169016
Intermediate Similarity 0.7794 NPC198841
Intermediate Similarity 0.7792 NPC98976
Intermediate Similarity 0.7692 NPC271642
Intermediate Similarity 0.7681 NPC120441
Intermediate Similarity 0.7681 NPC65873
Intermediate Similarity 0.7681 NPC300345
Intermediate Similarity 0.7681 NPC212114
Intermediate Similarity 0.7662 NPC299134
Intermediate Similarity 0.7647 NPC149436
Intermediate Similarity 0.7639 NPC50266
Intermediate Similarity 0.7619 NPC258046
Intermediate Similarity 0.7536 NPC269586
Intermediate Similarity 0.7391 NPC277704
Intermediate Similarity 0.7361 NPC210849
Intermediate Similarity 0.7361 NPC248705
Intermediate Similarity 0.7361 NPC246588
Intermediate Similarity 0.7361 NPC150196
Intermediate Similarity 0.7361 NPC310758
Intermediate Similarity 0.7361 NPC238023
Intermediate Similarity 0.7361 NPC54368
Intermediate Similarity 0.7361 NPC135924
Intermediate Similarity 0.7326 NPC60408
Intermediate Similarity 0.7324 NPC114327
Intermediate Similarity 0.7324 NPC8235
Intermediate Similarity 0.7324 NPC36357
Intermediate Similarity 0.7262 NPC104070
Intermediate Similarity 0.726 NPC29680
Intermediate Similarity 0.726 NPC71009
Intermediate Similarity 0.726 NPC22786
Intermediate Similarity 0.726 NPC66517
Intermediate Similarity 0.7229 NPC231986
Intermediate Similarity 0.7222 NPC147062
Intermediate Similarity 0.7222 NPC169110
Intermediate Similarity 0.7176 NPC133162
Intermediate Similarity 0.7162 NPC88566
Intermediate Similarity 0.7162 NPC21211
Intermediate Similarity 0.7162 NPC113670
Intermediate Similarity 0.7143 NPC200936
Intermediate Similarity 0.7083 NPC64270
Intermediate Similarity 0.7067 NPC32312
Intermediate Similarity 0.7067 NPC291066
Intermediate Similarity 0.7067 NPC198023
Intermediate Similarity 0.7067 NPC155172
Intermediate Similarity 0.7059 NPC474088
Intermediate Similarity 0.7033 NPC471309
Intermediate Similarity 0.7027 NPC200745
Remote Similarity 0.6974 NPC178527
Remote Similarity 0.6962 NPC125144
Remote Similarity 0.6962 NPC121708
Remote Similarity 0.6957 NPC329430
Remote Similarity 0.6933 NPC45756
Remote Similarity 0.6932 NPC473031
Remote Similarity 0.6905 NPC192623
Remote Similarity 0.6892 NPC45255
Remote Similarity 0.6883 NPC6107
Remote Similarity 0.6883 NPC267443
Remote Similarity 0.6883 NPC52330
Remote Similarity 0.6882 NPC471320
Remote Similarity 0.6882 NPC471319
Remote Similarity 0.6854 NPC30445
Remote Similarity 0.6848 NPC291070
Remote Similarity 0.6848 NPC7067
Remote Similarity 0.6848 NPC322040
Remote Similarity 0.6848 NPC246757
Remote Similarity 0.6848 NPC469330
Remote Similarity 0.6829 NPC110264
Remote Similarity 0.6818 NPC203076
Remote Similarity 0.6778 NPC470877
Remote Similarity 0.6778 NPC176858
Remote Similarity 0.6774 NPC215351
Remote Similarity 0.6774 NPC20142
Remote Similarity 0.6774 NPC108339
Remote Similarity 0.6757 NPC147578
Remote Similarity 0.6753 NPC289915
Remote Similarity 0.6753 NPC113837
Remote Similarity 0.6753 NPC36440
Remote Similarity 0.6744 NPC14326
Remote Similarity 0.6742 NPC305602
Remote Similarity 0.6742 NPC17497
Remote Similarity 0.6742 NPC471638
Remote Similarity 0.6709 NPC139416
Remote Similarity 0.6709 NPC213570
Remote Similarity 0.6709 NPC246822
Remote Similarity 0.6709 NPC473206
Remote Similarity 0.6706 NPC475573
Remote Similarity 0.6706 NPC309279
Remote Similarity 0.6706 NPC475289
Remote Similarity 0.6703 NPC74936
Remote Similarity 0.6703 NPC191444
Remote Similarity 0.6703 NPC141139
Remote Similarity 0.6703 NPC121872
Remote Similarity 0.6703 NPC209764
Remote Similarity 0.6703 NPC78041
Remote Similarity 0.6703 NPC159178
Remote Similarity 0.6703 NPC471307
Remote Similarity 0.6667 NPC12429
Remote Similarity 0.6667 NPC200624
Remote Similarity 0.6667 NPC111233
Remote Similarity 0.6632 NPC122493
Remote Similarity 0.6632 NPC10781
Remote Similarity 0.6632 NPC324569
Remote Similarity 0.6632 NPC293628
Remote Similarity 0.663 NPC470926
Remote Similarity 0.6625 NPC251490
Remote Similarity 0.6625 NPC263385
Remote Similarity 0.6625 NPC72670
Remote Similarity 0.6623 NPC264470
Remote Similarity 0.6582 NPC82770
Remote Similarity 0.6582 NPC239931
Remote Similarity 0.6582 NPC78954
Remote Similarity 0.6582 NPC311343
Remote Similarity 0.6562 NPC290515
Remote Similarity 0.6562 NPC303611
Remote Similarity 0.6562 NPC164514
Remote Similarity 0.6562 NPC108606
Remote Similarity 0.6562 NPC226096
Remote Similarity 0.6559 NPC108800
Remote Similarity 0.6559 NPC473661
Remote Similarity 0.6556 NPC262295
Remote Similarity 0.6543 NPC280135
Remote Similarity 0.6543 NPC193578
Remote Similarity 0.6543 NPC135433
Remote Similarity 0.6543 NPC226999
Remote Similarity 0.6543 NPC1008
Remote Similarity 0.6543 NPC87099
Remote Similarity 0.6543 NPC208302
Remote Similarity 0.6543 NPC158028
Remote Similarity 0.6543 NPC39799
Remote Similarity 0.6543 NPC74458
Remote Similarity 0.6522 NPC316108
Remote Similarity 0.6517 NPC3210
Remote Similarity 0.65 NPC169222
Remote Similarity 0.65 NPC16190
Remote Similarity 0.65 NPC235059
Remote Similarity 0.65 NPC5324
Remote Similarity 0.65 NPC98880
Remote Similarity 0.6495 NPC125732
Remote Similarity 0.6463 NPC271437
Remote Similarity 0.6463 NPC212463
Remote Similarity 0.6463 NPC1901
Remote Similarity 0.6463 NPC285679
Remote Similarity 0.6463 NPC54269
Remote Similarity 0.6452 NPC226438
Remote Similarity 0.6452 NPC245259
Remote Similarity 0.6429 NPC35599
Remote Similarity 0.6421 NPC256452
Remote Similarity 0.642 NPC95289
Remote Similarity 0.6413 NPC173991
Remote Similarity 0.6386 NPC108218
Remote Similarity 0.6386 NPC208075
Remote Similarity 0.6386 NPC96835
Remote Similarity 0.6386 NPC258492
Remote Similarity 0.6375 NPC181786
Remote Similarity 0.6375 NPC22760
Remote Similarity 0.6374 NPC53492
Remote Similarity 0.6364 NPC327226
Remote Similarity 0.6344 NPC172128
Remote Similarity 0.6341 NPC326200
Remote Similarity 0.6341 NPC155429
Remote Similarity 0.6324 NPC11150
Remote Similarity 0.631 NPC307195
Remote Similarity 0.631 NPC189371
Remote Similarity 0.6304 NPC325441
Remote Similarity 0.63 NPC68055
Remote Similarity 0.63 NPC164859
Remote Similarity 0.6296 NPC297358
Remote Similarity 0.6263 NPC29601
Remote Similarity 0.625 NPC58674
Remote Similarity 0.625 NPC303045
Remote Similarity 0.625 NPC161972
Remote Similarity 0.6238 NPC150254
Remote Similarity 0.6238 NPC304761
Remote Similarity 0.6238 NPC226778
Remote Similarity 0.6238 NPC147000
Remote Similarity 0.6235 NPC302129
Remote Similarity 0.622 NPC271732
Remote Similarity 0.6186 NPC25565
Remote Similarity 0.6186 NPC317400
Remote Similarity 0.6176 NPC42383
Remote Similarity 0.6176 NPC67043
Remote Similarity 0.617 NPC258627
Remote Similarity 0.617 NPC78154
Remote Similarity 0.6163 NPC245966
Remote Similarity 0.6163 NPC298023
Remote Similarity 0.6163 NPC249018
Remote Similarity 0.6163 NPC3190

Drug Structure

External Identifiers

TTD   DNC009632
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   6437850
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  197.10
ALogP  -0.026
MLogP  2.34
XLogP  2.992
HDA  1
HBD  1
Rotatable Bonds  7
TPSA  26.02
RO5 Violation  0