Drug Information

Drug ID:  NPD4071
Drug Name:  Florbetapir
Molecular Formula:  C20H25FN2O3
Canonical SMILES:  FCCOCCOCCOc1ccc(cn1)/C=C/c1ccc(cc1)NC
Standard InCHI:  InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+
Standard InCHIKey:  YNDIAUKFXKEXSV-NSCUHMNNSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4071

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 0.7717 NPC76748
Intermediate Similarity 0.7688 NPC177404
Intermediate Similarity 0.7688 NPC307963
Intermediate Similarity 0.7676 NPC92111
Intermediate Similarity 0.7663 NPC296527
Intermediate Similarity 0.7634 NPC195268
Intermediate Similarity 0.7634 NPC133140
Intermediate Similarity 0.7632 NPC315957
Intermediate Similarity 0.7545 NPC471323
Intermediate Similarity 0.7513 NPC251090
Intermediate Similarity 0.7474 NPC285558
Intermediate Similarity 0.7448 NPC176538
Intermediate Similarity 0.7442 NPC26872
Intermediate Similarity 0.7424 NPC208284
Intermediate Similarity 0.7421 NPC13880
Intermediate Similarity 0.7409 NPC232727
Intermediate Similarity 0.7407 NPC289786
Intermediate Similarity 0.7396 NPC4071
Intermediate Similarity 0.7396 NPC476578
Intermediate Similarity 0.7396 NPC476582
Intermediate Similarity 0.7374 NPC476518
Intermediate Similarity 0.7374 NPC290689
Intermediate Similarity 0.7363 NPC288349
Intermediate Similarity 0.7363 NPC283152
Intermediate Similarity 0.7358 NPC19872
Intermediate Similarity 0.735 NPC266931
Intermediate Similarity 0.7337 NPC470474
Intermediate Similarity 0.7333 NPC121658
Intermediate Similarity 0.7333 NPC14651
Intermediate Similarity 0.7314 NPC26850
Intermediate Similarity 0.7303 NPC471178
Intermediate Similarity 0.7296 NPC36229
Intermediate Similarity 0.7296 NPC16452
Intermediate Similarity 0.7296 NPC476581
Intermediate Similarity 0.7268 NPC121772
Intermediate Similarity 0.7268 NPC477019
Intermediate Similarity 0.7264 NPC162530
Intermediate Similarity 0.7253 NPC312872
Intermediate Similarity 0.7245 NPC476138
Intermediate Similarity 0.7245 NPC245816
Intermediate Similarity 0.7243 NPC161887
Intermediate Similarity 0.7208 NPC329708
Intermediate Similarity 0.7208 NPC47059
Intermediate Similarity 0.7208 NPC165349
Intermediate Similarity 0.7208 NPC264166
Intermediate Similarity 0.7208 NPC274291
Intermediate Similarity 0.7208 NPC118832
Intermediate Similarity 0.7202 NPC267928
Intermediate Similarity 0.72 NPC167860
Intermediate Similarity 0.72 NPC123976
Intermediate Similarity 0.7198 NPC111624
Intermediate Similarity 0.7191 NPC124542
Intermediate Similarity 0.7191 NPC59779
Intermediate Similarity 0.7191 NPC471177
Intermediate Similarity 0.7189 NPC168486
Intermediate Similarity 0.7189 NPC222592
Intermediate Similarity 0.7186 NPC476465
Intermediate Similarity 0.7179 NPC234197
Intermediate Similarity 0.7178 NPC476287
Intermediate Similarity 0.717 NPC180504
Intermediate Similarity 0.7151 NPC219963
Intermediate Similarity 0.715 NPC473053
Intermediate Similarity 0.7143 NPC31930
Intermediate Similarity 0.7136 NPC313189
Intermediate Similarity 0.7129 NPC316981
Intermediate Similarity 0.7129 NPC26679
Intermediate Similarity 0.7128 NPC20249
Intermediate Similarity 0.7128 NPC287437
Intermediate Similarity 0.7112 NPC176127
Intermediate Similarity 0.7108 NPC170114
Intermediate Similarity 0.7092 NPC329747
Intermediate Similarity 0.7092 NPC329793
Intermediate Similarity 0.7087 NPC168209
Intermediate Similarity 0.7077 NPC72211
Intermediate Similarity 0.7074 NPC284559
Intermediate Similarity 0.7074 NPC84478
Intermediate Similarity 0.7074 NPC284678
Intermediate Similarity 0.7071 NPC475774
Intermediate Similarity 0.7059 NPC470549
Intermediate Similarity 0.7059 NPC266551
Intermediate Similarity 0.7056 NPC118511
Intermediate Similarity 0.7056 NPC473057
Intermediate Similarity 0.7047 NPC279401
Intermediate Similarity 0.7047 NPC84853
Intermediate Similarity 0.7047 NPC79293
Intermediate Similarity 0.7044 NPC53069
Intermediate Similarity 0.7044 NPC202768
Intermediate Similarity 0.7044 NPC112206
Intermediate Similarity 0.7044 NPC202605
Intermediate Similarity 0.7044 NPC296482
Intermediate Similarity 0.7044 NPC251160
Intermediate Similarity 0.7037 NPC314002
Intermediate Similarity 0.703 NPC282398
Intermediate Similarity 0.7027 NPC288943
Intermediate Similarity 0.7019 NPC310118
Intermediate Similarity 0.7015 NPC475910
Intermediate Similarity 0.7014 NPC110151
Intermediate Similarity 0.7012 NPC89490
Intermediate Similarity 0.7005 NPC213530
Intermediate Similarity 0.7005 NPC193267
Intermediate Similarity 0.7 NPC323345
Intermediate Similarity 0.7 NPC171171
Intermediate Similarity 0.7 NPC470164
Remote Similarity 0.6995 NPC99666
Remote Similarity 0.6988 NPC256893
Remote Similarity 0.6986 NPC243633
Remote Similarity 0.6986 NPC175150
Remote Similarity 0.6984 NPC204717
Remote Similarity 0.698 NPC185782
Remote Similarity 0.6974 NPC70259
Remote Similarity 0.697 NPC475105
Remote Similarity 0.697 NPC329896
Remote Similarity 0.697 NPC475090
Remote Similarity 0.6968 NPC118776
Remote Similarity 0.6965 NPC135549
Remote Similarity 0.6961 NPC311276
Remote Similarity 0.6959 NPC226202
Remote Similarity 0.6957 NPC473822
Remote Similarity 0.6951 NPC306397
Remote Similarity 0.6951 NPC212125
Remote Similarity 0.6946 NPC11464
Remote Similarity 0.6939 NPC224928
Remote Similarity 0.6935 NPC224764
Remote Similarity 0.6931 NPC220765
Remote Similarity 0.6931 NPC82548
Remote Similarity 0.6927 NPC236668
Remote Similarity 0.6927 NPC138018
Remote Similarity 0.6923 NPC205934
Remote Similarity 0.6923 NPC43787
Remote Similarity 0.6919 NPC259545
Remote Similarity 0.6911 NPC204385
Remote Similarity 0.691 NPC477815
Remote Similarity 0.6907 NPC324149
Remote Similarity 0.6904 NPC127085
Remote Similarity 0.69 NPC162484
Remote Similarity 0.6898 NPC184964
Remote Similarity 0.6898 NPC96890
Remote Similarity 0.6897 NPC174758
Remote Similarity 0.6897 NPC174672
Remote Similarity 0.6893 NPC146976
Remote Similarity 0.6884 NPC49547
Remote Similarity 0.6878 NPC96405
Remote Similarity 0.6878 NPC206201
Remote Similarity 0.6878 NPC171409
Remote Similarity 0.6875 NPC206251
Remote Similarity 0.6875 NPC46580
Remote Similarity 0.6875 NPC66083
Remote Similarity 0.6875 NPC74382
Remote Similarity 0.6872 NPC106937
Remote Similarity 0.6868 NPC97367
Remote Similarity 0.6868 NPC102423
Remote Similarity 0.6863 NPC470020
Remote Similarity 0.6863 NPC471304
Remote Similarity 0.6862 NPC42979
Remote Similarity 0.6862 NPC232340
Remote Similarity 0.6857 NPC60621
Remote Similarity 0.6854 NPC107287
Remote Similarity 0.6853 NPC70956
Remote Similarity 0.6853 NPC243834
Remote Similarity 0.6851 NPC131718
Remote Similarity 0.6851 NPC63338
Remote Similarity 0.6851 NPC324203
Remote Similarity 0.6851 NPC322976
Remote Similarity 0.685 NPC475085
Remote Similarity 0.685 NPC475112
Remote Similarity 0.685 NPC291535
Remote Similarity 0.6848 NPC165370
Remote Similarity 0.6847 NPC477111
Remote Similarity 0.6847 NPC287208
Remote Similarity 0.6845 NPC471080
Remote Similarity 0.6845 NPC469592
Remote Similarity 0.6839 NPC242928
Remote Similarity 0.6836 NPC105818
Remote Similarity 0.6836 NPC24678
Remote Similarity 0.6833 NPC469762
Remote Similarity 0.6832 NPC476106
Remote Similarity 0.6832 NPC472111
Remote Similarity 0.6829 NPC151489
Remote Similarity 0.6829 NPC146373
Remote Similarity 0.6829 NPC245244
Remote Similarity 0.6829 NPC166424
Remote Similarity 0.6828 NPC313791
Remote Similarity 0.6827 NPC473513
Remote Similarity 0.6822 NPC314954
Remote Similarity 0.6811 NPC473764
Remote Similarity 0.6811 NPC314940
Remote Similarity 0.681 NPC472099
Remote Similarity 0.6809 NPC211997
Remote Similarity 0.6808 NPC470018
Remote Similarity 0.6806 NPC62069
Remote Similarity 0.6806 NPC469554
Remote Similarity 0.6802 NPC194967
Remote Similarity 0.68 NPC267423
Remote Similarity 0.68 NPC476044
Remote Similarity 0.6798 NPC193238
Remote Similarity 0.6796 NPC94157
Remote Similarity 0.6794 NPC173080
Remote Similarity 0.6793 NPC108469
Remote Similarity 0.6792 NPC122436
Remote Similarity 0.6789 NPC295228

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  360.18
ALogP  0.2367
MLogP  3
XLogP  4.382
HDA  4
HBD  1
Rotatable Bonds  14
TPSA  52.61
RO5 Violation  1