Drug Information

Drug ID:  NPD6652
Drug Name:  
Molecular Formula:  C26H35F2NO7
Canonical SMILES:  CCCOCCOC(=O)C1=C(C)NC(=C(C1c1ccccc1OC(F)F)C(=O)OCCOCCC)C
Standard InCHI:  InChI=1S/C26H35F2NO7/c1-5-11-32-13-15-34-24(30)21-17(3)29-18(4)22(25(31)35-16-14-33-12-6-2)23(21)19-9-7-8-10-20(19)36-26(27)28/h7-10,23,26,29H,5-6,11-16H2,1-4H3
Standard InCHIKey:  ASCWBYZMMHUZMQ-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD6652

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 0.7434 NPC64230
Intermediate Similarity 0.7434 NPC71638
Intermediate Similarity 0.7417 NPC311339
Intermediate Similarity 0.7415 NPC37512
Intermediate Similarity 0.7386 NPC471069
Intermediate Similarity 0.7386 NPC471068
Intermediate Similarity 0.7338 NPC307883
Intermediate Similarity 0.7338 NPC471070
Intermediate Similarity 0.7338 NPC471072
Intermediate Similarity 0.7338 NPC471071
Intermediate Similarity 0.7337 NPC472894
Intermediate Similarity 0.7303 NPC37065
Intermediate Similarity 0.7279 NPC165556
Intermediate Similarity 0.7267 NPC2989
Intermediate Similarity 0.7255 NPC229128
Intermediate Similarity 0.7248 NPC2596
Intermediate Similarity 0.7203 NPC293424
Intermediate Similarity 0.7197 NPC184053
Intermediate Similarity 0.719 NPC34456
Intermediate Similarity 0.7181 NPC121104
Intermediate Similarity 0.7181 NPC264428
Intermediate Similarity 0.7171 NPC302844
Intermediate Similarity 0.7152 NPC473271
Intermediate Similarity 0.7152 NPC86774
Intermediate Similarity 0.7152 NPC327457
Intermediate Similarity 0.7143 NPC475011
Intermediate Similarity 0.7143 NPC61499
Intermediate Similarity 0.7134 NPC155552
Intermediate Similarity 0.7134 NPC475044
Intermediate Similarity 0.7134 NPC475063
Intermediate Similarity 0.7125 NPC294365
Intermediate Similarity 0.7124 NPC54503
Intermediate Similarity 0.7124 NPC55147
Intermediate Similarity 0.7115 NPC253616
Intermediate Similarity 0.7113 NPC220540
Intermediate Similarity 0.7107 NPC251372
Intermediate Similarity 0.7105 NPC196979
Intermediate Similarity 0.7105 NPC470976
Intermediate Similarity 0.7105 NPC15083
Intermediate Similarity 0.7105 NPC470977
Intermediate Similarity 0.7103 NPC474874
Intermediate Similarity 0.7103 NPC31314
Intermediate Similarity 0.7097 NPC177281
Intermediate Similarity 0.7097 NPC283019
Intermediate Similarity 0.7097 NPC128529
Intermediate Similarity 0.7097 NPC55615
Intermediate Similarity 0.7097 NPC160727
Intermediate Similarity 0.7097 NPC476455
Intermediate Similarity 0.7097 NPC149320
Intermediate Similarity 0.7097 NPC471630
Intermediate Similarity 0.7095 NPC221798
Intermediate Similarity 0.7089 NPC46180
Intermediate Similarity 0.7071 NPC233238
Intermediate Similarity 0.707 NPC36414
Intermediate Similarity 0.707 NPC475012
Intermediate Similarity 0.7067 NPC223807
Intermediate Similarity 0.7063 NPC184702
Intermediate Similarity 0.7063 NPC169942
Intermediate Similarity 0.7059 NPC327204
Intermediate Similarity 0.7059 NPC175159
Intermediate Similarity 0.7059 NPC323379
Intermediate Similarity 0.7059 NPC269421
Intermediate Similarity 0.7055 NPC474305
Intermediate Similarity 0.7055 NPC322569
Intermediate Similarity 0.7051 NPC268081
Intermediate Similarity 0.7044 NPC471640
Intermediate Similarity 0.7044 NPC471644
Intermediate Similarity 0.7039 NPC183348
Intermediate Similarity 0.7039 NPC282230
Intermediate Similarity 0.7037 NPC473428
Intermediate Similarity 0.7032 NPC86892
Intermediate Similarity 0.7032 NPC476018
Intermediate Similarity 0.7032 NPC475029
Intermediate Similarity 0.7032 NPC472424
Intermediate Similarity 0.7032 NPC298900
Intermediate Similarity 0.7032 NPC211386
Intermediate Similarity 0.7032 NPC281241
Intermediate Similarity 0.7032 NPC471625
Intermediate Similarity 0.7032 NPC471909
Intermediate Similarity 0.7032 NPC470844
Intermediate Similarity 0.7025 NPC472515
Intermediate Similarity 0.7025 NPC136095
Intermediate Similarity 0.7025 NPC51181
Intermediate Similarity 0.702 NPC2401
Intermediate Similarity 0.702 NPC472519
Intermediate Similarity 0.7019 NPC171656
Intermediate Similarity 0.7014 NPC45104
Intermediate Similarity 0.7013 NPC477280
Intermediate Similarity 0.7013 NPC19719
Intermediate Similarity 0.7013 NPC7526
Intermediate Similarity 0.7013 NPC222036
Intermediate Similarity 0.7013 NPC477281
Intermediate Similarity 0.7012 NPC475379
Intermediate Similarity 0.7012 NPC119252
Intermediate Similarity 0.7006 NPC148738
Intermediate Similarity 0.7006 NPC475028
Intermediate Similarity 0.7006 NPC476025
Intermediate Similarity 0.7006 NPC319870
Intermediate Similarity 0.7006 NPC475005
Intermediate Similarity 0.7006 NPC327612
Intermediate Similarity 0.7006 NPC474943
Intermediate Similarity 0.7006 NPC73078
Intermediate Similarity 0.7 NPC475236
Intermediate Similarity 0.7 NPC471639
Intermediate Similarity 0.7 NPC18211
Intermediate Similarity 0.7 NPC471643
Intermediate Similarity 0.7 NPC204579
Remote Similarity 0.6994 NPC475848
Remote Similarity 0.6994 NPC474306
Remote Similarity 0.6993 NPC472517
Remote Similarity 0.6993 NPC322358
Remote Similarity 0.6987 NPC283331
Remote Similarity 0.6986 NPC193193
Remote Similarity 0.6986 NPC168050
Remote Similarity 0.698 NPC184219
Remote Similarity 0.698 NPC201667
Remote Similarity 0.698 NPC470163
Remote Similarity 0.698 NPC73413
Remote Similarity 0.698 NPC27671
Remote Similarity 0.698 NPC470162
Remote Similarity 0.698 NPC89630
Remote Similarity 0.6975 NPC286038
Remote Similarity 0.6975 NPC71821
Remote Similarity 0.6974 NPC238309
Remote Similarity 0.6974 NPC66246
Remote Similarity 0.6974 NPC473894
Remote Similarity 0.6974 NPC170546
Remote Similarity 0.6968 NPC307412
Remote Similarity 0.6968 NPC74655
Remote Similarity 0.6968 NPC100986
Remote Similarity 0.6968 NPC164269
Remote Similarity 0.6968 NPC166672
Remote Similarity 0.6968 NPC55149
Remote Similarity 0.6968 NPC127888
Remote Similarity 0.6968 NPC47163
Remote Similarity 0.6968 NPC18804
Remote Similarity 0.6968 NPC195343
Remote Similarity 0.6968 NPC84894
Remote Similarity 0.6968 NPC260265
Remote Similarity 0.6968 NPC287182
Remote Similarity 0.6968 NPC319859
Remote Similarity 0.6968 NPC198381
Remote Similarity 0.6968 NPC267412
Remote Similarity 0.6968 NPC223354
Remote Similarity 0.6962 NPC475045
Remote Similarity 0.6962 NPC473988
Remote Similarity 0.6959 NPC69403
Remote Similarity 0.6959 NPC291189
Remote Similarity 0.6957 NPC470932
Remote Similarity 0.6954 NPC293387
Remote Similarity 0.6951 NPC164299
Remote Similarity 0.6948 NPC119985
Remote Similarity 0.6948 NPC280476
Remote Similarity 0.6948 NPC14248
Remote Similarity 0.6943 NPC254741
Remote Similarity 0.6939 NPC235190
Remote Similarity 0.6939 NPC163200
Remote Similarity 0.6939 NPC180006
Remote Similarity 0.6937 NPC297985
Remote Similarity 0.6937 NPC24075
Remote Similarity 0.6937 NPC469579
Remote Similarity 0.6933 NPC471828
Remote Similarity 0.6933 NPC142863
Remote Similarity 0.6933 NPC471827
Remote Similarity 0.6933 NPC66991
Remote Similarity 0.6933 NPC170749
Remote Similarity 0.6933 NPC98009
Remote Similarity 0.6933 NPC49938
Remote Similarity 0.6928 NPC109778
Remote Similarity 0.6923 NPC44245
Remote Similarity 0.6923 NPC72796
Remote Similarity 0.6918 NPC98748
Remote Similarity 0.6918 NPC61779
Remote Similarity 0.6918 NPC469911
Remote Similarity 0.6918 NPC473209
Remote Similarity 0.6914 NPC287275
Remote Similarity 0.6914 NPC212697
Remote Similarity 0.6913 NPC109675
Remote Similarity 0.6913 NPC472518
Remote Similarity 0.6913 NPC315807
Remote Similarity 0.6913 NPC273772
Remote Similarity 0.6909 NPC140133
Remote Similarity 0.6908 NPC475017
Remote Similarity 0.6908 NPC473907
Remote Similarity 0.6903 NPC133956
Remote Similarity 0.6903 NPC182428
Remote Similarity 0.6903 NPC471910
Remote Similarity 0.6903 NPC469449
Remote Similarity 0.6903 NPC207002
Remote Similarity 0.6903 NPC470441
Remote Similarity 0.6903 NPC101294
Remote Similarity 0.6903 NPC318400
Remote Similarity 0.6903 NPC167111
Remote Similarity 0.6903 NPC296624
Remote Similarity 0.6903 NPC473655
Remote Similarity 0.6899 NPC103001
Remote Similarity 0.6897 NPC469954
Remote Similarity 0.6897 NPC217423
Remote Similarity 0.6894 NPC469615
Remote Similarity 0.6894 NPC143092

Drug Structure

External Identifiers

TTD   DIB014405
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   159556
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  511.24
ALogP  0.0513
MLogP  3.22
XLogP  5.475
HDA  7
HBD  1
Rotatable Bonds  23
TPSA  92.32
RO5 Violation  2