Drug Information

Drug ID:  NPD3927
Drug Name:  Befiradol
Molecular Formula:  C20H22ClF2N3O
Canonical SMILES:  Cc1ccc(nc1)CNCC1(F)CCN(CC1)C(=O)c1ccc(c(c1)Cl)F
Standard InCHI:  InChI=1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3
Standard InCHIKey:  PKZXLMVXBZICTF-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3927

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 0.7784 NPC116961
Intermediate Similarity 0.753 NPC32002
Intermediate Similarity 0.753 NPC315348
Intermediate Similarity 0.7414 NPC229055
Intermediate Similarity 0.7412 NPC467188
Intermediate Similarity 0.7399 NPC472260
Intermediate Similarity 0.7371 NPC476464
Intermediate Similarity 0.7363 NPC469529
Intermediate Similarity 0.7356 NPC251391
Intermediate Similarity 0.7305 NPC65408
Intermediate Similarity 0.7299 NPC70406
Intermediate Similarity 0.7287 NPC141612
Intermediate Similarity 0.7287 NPC135601
Intermediate Similarity 0.7287 NPC17273
Intermediate Similarity 0.7278 NPC56233
Intermediate Similarity 0.7263 NPC478182
Intermediate Similarity 0.7241 NPC313889
Intermediate Similarity 0.7234 NPC133003
Intermediate Similarity 0.7225 NPC105811
Intermediate Similarity 0.7219 NPC470205
Intermediate Similarity 0.7207 NPC478185
Intermediate Similarity 0.7204 NPC73994
Intermediate Similarity 0.7191 NPC80681
Intermediate Similarity 0.7188 NPC216550
Intermediate Similarity 0.7184 NPC123906
Intermediate Similarity 0.7182 NPC114637
Intermediate Similarity 0.7181 NPC477003
Intermediate Similarity 0.7172 NPC317701
Intermediate Similarity 0.7151 NPC11126
Intermediate Similarity 0.712 NPC161861
Intermediate Similarity 0.7119 NPC209362
Intermediate Similarity 0.7102 NPC470233
Intermediate Similarity 0.7097 NPC157583
Intermediate Similarity 0.7095 NPC293487
Intermediate Similarity 0.7095 NPC477591
Intermediate Similarity 0.709 NPC228835
Intermediate Similarity 0.709 NPC467063
Intermediate Similarity 0.7074 NPC191415
Intermediate Similarity 0.7072 NPC265100
Intermediate Similarity 0.7072 NPC478184
Intermediate Similarity 0.7053 NPC99939
Intermediate Similarity 0.7053 NPC308931
Intermediate Similarity 0.7049 NPC70949
Intermediate Similarity 0.7047 NPC476460
Intermediate Similarity 0.7035 NPC471617
Intermediate Similarity 0.7033 NPC233380
Intermediate Similarity 0.7031 NPC103119
Intermediate Similarity 0.7017 NPC194881
Intermediate Similarity 0.7005 NPC237188
Intermediate Similarity 0.7005 NPC284775
Intermediate Similarity 0.7005 NPC83774
Intermediate Similarity 0.7 NPC21429
Intermediate Similarity 0.7 NPC471312
Remote Similarity 0.6995 NPC478183
Remote Similarity 0.6995 NPC324091
Remote Similarity 0.6989 NPC102664
Remote Similarity 0.6984 NPC470677
Remote Similarity 0.6978 NPC271797
Remote Similarity 0.6978 NPC21174
Remote Similarity 0.6974 NPC326422
Remote Similarity 0.6964 NPC330326
Remote Similarity 0.6949 NPC473878
Remote Similarity 0.6947 NPC102755
Remote Similarity 0.694 NPC42372
Remote Similarity 0.6932 NPC100726
Remote Similarity 0.6931 NPC61011
Remote Similarity 0.6919 NPC34837
Remote Similarity 0.6914 NPC470440
Remote Similarity 0.6898 NPC293216
Remote Similarity 0.6891 NPC17059
Remote Similarity 0.6889 NPC74357
Remote Similarity 0.6878 NPC248462
Remote Similarity 0.6868 NPC470680
Remote Similarity 0.6868 NPC100104
Remote Similarity 0.6866 NPC472063
Remote Similarity 0.6866 NPC472062
Remote Similarity 0.6866 NPC472069
Remote Similarity 0.6856 NPC255909
Remote Similarity 0.6854 NPC471655
Remote Similarity 0.6851 NPC477887
Remote Similarity 0.6851 NPC213914
Remote Similarity 0.6848 NPC245244
Remote Similarity 0.6848 NPC146373
Remote Similarity 0.6848 NPC166424
Remote Similarity 0.6847 NPC472064
Remote Similarity 0.6842 NPC477042
Remote Similarity 0.6842 NPC16659
Remote Similarity 0.6839 NPC94752
Remote Similarity 0.6839 NPC476454
Remote Similarity 0.6831 NPC242116
Remote Similarity 0.6828 NPC32534
Remote Similarity 0.6828 NPC91895
Remote Similarity 0.6826 NPC313823
Remote Similarity 0.6823 NPC46895
Remote Similarity 0.6812 NPC6865
Remote Similarity 0.6812 NPC153980
Remote Similarity 0.6802 NPC314102
Remote Similarity 0.6802 NPC251722
Remote Similarity 0.68 NPC284338
Remote Similarity 0.6789 NPC265710
Remote Similarity 0.6788 NPC476322
Remote Similarity 0.6784 NPC167710
Remote Similarity 0.6784 NPC134657
Remote Similarity 0.6778 NPC200214
Remote Similarity 0.6768 NPC294693
Remote Similarity 0.6763 NPC72956
Remote Similarity 0.676 NPC40070
Remote Similarity 0.6754 NPC314919
Remote Similarity 0.6751 NPC272458
Remote Similarity 0.6737 NPC473380
Remote Similarity 0.6737 NPC240088
Remote Similarity 0.6734 NPC128244
Remote Similarity 0.6726 NPC89490
Remote Similarity 0.6726 NPC471589
Remote Similarity 0.6722 NPC117032
Remote Similarity 0.6722 NPC217021
Remote Similarity 0.6722 NPC470679
Remote Similarity 0.6721 NPC474492
Remote Similarity 0.672 NPC41717
Remote Similarity 0.6717 NPC304203
Remote Similarity 0.6716 NPC477004
Remote Similarity 0.6706 NPC256893
Remote Similarity 0.6702 NPC12649
Remote Similarity 0.6701 NPC473763
Remote Similarity 0.6701 NPC117244
Remote Similarity 0.67 NPC106824
Remote Similarity 0.6686 NPC325599
Remote Similarity 0.6686 NPC329896
Remote Similarity 0.6686 NPC476131
Remote Similarity 0.6686 NPC238499
Remote Similarity 0.6686 NPC475105
Remote Similarity 0.6686 NPC475090
Remote Similarity 0.6683 NPC121327
Remote Similarity 0.6683 NPC472065
Remote Similarity 0.6667 NPC472070
Remote Similarity 0.6667 NPC118084
Remote Similarity 0.6667 NPC24864
Remote Similarity 0.6667 NPC316359
Remote Similarity 0.6667 NPC315617
Remote Similarity 0.6651 NPC471194
Remote Similarity 0.6651 NPC471193
Remote Similarity 0.665 NPC102592
Remote Similarity 0.665 NPC79356
Remote Similarity 0.6649 NPC471943
Remote Similarity 0.6649 NPC64436
Remote Similarity 0.6647 NPC69914
Remote Similarity 0.6635 NPC471192
Remote Similarity 0.6634 NPC88115
Remote Similarity 0.6634 NPC237414
Remote Similarity 0.6629 NPC314372
Remote Similarity 0.6629 NPC73767
Remote Similarity 0.6629 NPC316811
Remote Similarity 0.6627 NPC46358
Remote Similarity 0.6618 NPC106757
Remote Similarity 0.6618 NPC143977
Remote Similarity 0.6612 NPC169586
Remote Similarity 0.6611 NPC321911
Remote Similarity 0.661 NPC190296
Remote Similarity 0.6608 NPC471322
Remote Similarity 0.6608 NPC101165
Remote Similarity 0.66 NPC93390
Remote Similarity 0.66 NPC202812
Remote Similarity 0.6599 NPC213629
Remote Similarity 0.6597 NPC151635
Remote Similarity 0.6595 NPC473706
Remote Similarity 0.6593 NPC281094
Remote Similarity 0.6593 NPC325903
Remote Similarity 0.6592 NPC478186
Remote Similarity 0.6591 NPC469784
Remote Similarity 0.6591 NPC469768
Remote Similarity 0.6591 NPC469780
Remote Similarity 0.6591 NPC469761
Remote Similarity 0.6591 NPC469783
Remote Similarity 0.6591 NPC469779
Remote Similarity 0.6591 NPC469767
Remote Similarity 0.659 NPC291517
Remote Similarity 0.6587 NPC27740
Remote Similarity 0.6584 NPC474916
Remote Similarity 0.6583 NPC314058
Remote Similarity 0.6583 NPC47190
Remote Similarity 0.6583 NPC316018
Remote Similarity 0.6582 NPC476527
Remote Similarity 0.6576 NPC469897
Remote Similarity 0.6575 NPC24678
Remote Similarity 0.6575 NPC105818
Remote Similarity 0.6574 NPC476817
Remote Similarity 0.6569 NPC300183
Remote Similarity 0.6567 NPC245916
Remote Similarity 0.6564 NPC297486
Remote Similarity 0.6564 NPC240136
Remote Similarity 0.6564 NPC471402
Remote Similarity 0.6562 NPC84827
Remote Similarity 0.6562 NPC14113
Remote Similarity 0.6562 NPC145885
Remote Similarity 0.6557 NPC177996
Remote Similarity 0.6557 NPC147983
Remote Similarity 0.6557 NPC470731
Remote Similarity 0.6556 NPC179787
Remote Similarity 0.6556 NPC201380
Remote Similarity 0.6556 NPC469811

Drug Structure

External Identifiers

TTD   DNC011239
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   9865384
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  393.14
ALogP  0.476
MLogP  2.89
XLogP  3.99
HDA  4
HBD  1
Rotatable Bonds  10
TPSA  45.23
RO5 Violation  0