Drug Information

Drug ID:  NPD7446
Drug Name:  
Molecular Formula:  C30H33NO4
Canonical SMILES:  CCC/C(=NOC(c1ccccc1)c1ccccc1)/CC1CCc2c(C1)cccc2OCC(=O)O
Standard InCHI:  InChI=1S/C30H33NO4/c1-2-10-26(31-35-30(23-11-5-3-6-12-23)24-13-7-4-8-14-24)20-22-17-18-27-25(19-22)15-9-16-28(27)34-21-29(32)33/h3-9,11-16,22,30H,2,10,17-21H2,1H3,(H,32,33)/b31-26+
Standard InCHIKey:  XNRBBSJYERPMMB-GKPLWNPISA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7446

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 0.7755 NPC249425
Intermediate Similarity 0.7662 NPC186033
Intermediate Similarity 0.7619 NPC176590
Intermediate Similarity 0.7603 NPC128321
Intermediate Similarity 0.7582 NPC265335
Intermediate Similarity 0.7569 NPC476332
Intermediate Similarity 0.7569 NPC473464
Intermediate Similarity 0.755 NPC141023
Intermediate Similarity 0.7533 NPC189482
Intermediate Similarity 0.7516 NPC307205
Intermediate Similarity 0.7484 NPC95990
Intermediate Similarity 0.7469 NPC115203
Intermediate Similarity 0.7468 NPC132723
Intermediate Similarity 0.7468 NPC76032
Intermediate Similarity 0.7452 NPC474599
Intermediate Similarity 0.7451 NPC92932
Intermediate Similarity 0.7419 NPC79372
Intermediate Similarity 0.7419 NPC110699
Intermediate Similarity 0.7419 NPC106055
Intermediate Similarity 0.7419 NPC476191
Intermediate Similarity 0.7417 NPC73656
Intermediate Similarity 0.7405 NPC235195
Intermediate Similarity 0.7405 NPC19862
Intermediate Similarity 0.7391 NPC118000
Intermediate Similarity 0.7391 NPC205501
Intermediate Similarity 0.7391 NPC162976
Intermediate Similarity 0.7379 NPC475839
Intermediate Similarity 0.7378 NPC478161
Intermediate Similarity 0.7378 NPC478159
Intermediate Similarity 0.7375 NPC32017
Intermediate Similarity 0.7375 NPC96930
Intermediate Similarity 0.7372 NPC29599
Intermediate Similarity 0.7368 NPC211352
Intermediate Similarity 0.7358 NPC471608
Intermediate Similarity 0.7351 NPC153019
Intermediate Similarity 0.7346 NPC475718
Intermediate Similarity 0.7338 NPC120852
Intermediate Similarity 0.7338 NPC265515
Intermediate Similarity 0.7329 NPC292206
Intermediate Similarity 0.7329 NPC188997
Intermediate Similarity 0.7329 NPC273358
Intermediate Similarity 0.7329 NPC298647
Intermediate Similarity 0.7329 NPC474556
Intermediate Similarity 0.7329 NPC478058
Intermediate Similarity 0.7325 NPC131971
Intermediate Similarity 0.7321 NPC90984
Intermediate Similarity 0.732 NPC184269
Intermediate Similarity 0.732 NPC473054
Intermediate Similarity 0.731 NPC322569
Intermediate Similarity 0.7303 NPC27578
Intermediate Similarity 0.7303 NPC289624
Intermediate Similarity 0.7297 NPC228771
Intermediate Similarity 0.7297 NPC170749
Intermediate Similarity 0.7297 NPC266705
Intermediate Similarity 0.7297 NPC29008
Intermediate Similarity 0.7296 NPC86069
Intermediate Similarity 0.7296 NPC280717
Intermediate Similarity 0.7296 NPC271607
Intermediate Similarity 0.7296 NPC132771
Intermediate Similarity 0.729 NPC306365
Intermediate Similarity 0.7289 NPC125495
Intermediate Similarity 0.7286 NPC280760
Intermediate Similarity 0.7284 NPC145527
Intermediate Similarity 0.7284 NPC208785
Intermediate Similarity 0.7284 NPC470618
Intermediate Similarity 0.7284 NPC470619
Intermediate Similarity 0.7279 NPC261992
Intermediate Similarity 0.7279 NPC470887
Intermediate Similarity 0.7273 NPC15109
Intermediate Similarity 0.7273 NPC25648
Intermediate Similarity 0.7273 NPC11727
Intermediate Similarity 0.7267 NPC474856
Intermediate Similarity 0.7267 NPC307050
Intermediate Similarity 0.7267 NPC291326
Intermediate Similarity 0.7267 NPC474834
Intermediate Similarity 0.7267 NPC474795
Intermediate Similarity 0.7267 NPC47288
Intermediate Similarity 0.7267 NPC474940
Intermediate Similarity 0.7267 NPC159697
Intermediate Similarity 0.7267 NPC117788
Intermediate Similarity 0.7267 NPC130959
Intermediate Similarity 0.7267 NPC290902
Intermediate Similarity 0.7267 NPC303013
Intermediate Similarity 0.7267 NPC277458
Intermediate Similarity 0.7261 NPC138149
Intermediate Similarity 0.7256 NPC223720
Intermediate Similarity 0.7255 NPC138940
Intermediate Similarity 0.7255 NPC469610
Intermediate Similarity 0.725 NPC475872
Intermediate Similarity 0.7248 NPC134431
Intermediate Similarity 0.7248 NPC156854
Intermediate Similarity 0.7248 NPC17837
Intermediate Similarity 0.7248 NPC304630
Intermediate Similarity 0.7244 NPC260842
Intermediate Similarity 0.7239 NPC118033
Intermediate Similarity 0.7237 NPC472590
Intermediate Similarity 0.7237 NPC8899
Intermediate Similarity 0.7237 NPC258073
Intermediate Similarity 0.7233 NPC313414
Intermediate Similarity 0.7233 NPC471876
Intermediate Similarity 0.723 NPC248557
Intermediate Similarity 0.7226 NPC231163
Intermediate Similarity 0.7226 NPC318591
Intermediate Similarity 0.7222 NPC44452
Intermediate Similarity 0.7222 NPC474893
Intermediate Similarity 0.7222 NPC220006
Intermediate Similarity 0.7222 NPC475940
Intermediate Similarity 0.7222 NPC181452
Intermediate Similarity 0.7215 NPC20631
Intermediate Similarity 0.7215 NPC93640
Intermediate Similarity 0.7212 NPC268484
Intermediate Similarity 0.7211 NPC152946
Intermediate Similarity 0.7208 NPC471942
Intermediate Similarity 0.7208 NPC473107
Intermediate Similarity 0.72 NPC473993
Intermediate Similarity 0.72 NPC186889
Intermediate Similarity 0.7197 NPC76312
Intermediate Similarity 0.7197 NPC472794
Intermediate Similarity 0.7197 NPC473049
Intermediate Similarity 0.7195 NPC207675
Intermediate Similarity 0.7195 NPC475579
Intermediate Similarity 0.7195 NPC212699
Intermediate Similarity 0.7195 NPC473773
Intermediate Similarity 0.7195 NPC56635
Intermediate Similarity 0.7192 NPC212559
Intermediate Similarity 0.719 NPC469611
Intermediate Similarity 0.7188 NPC473909
Intermediate Similarity 0.7188 NPC274960
Intermediate Similarity 0.7188 NPC143120
Intermediate Similarity 0.7188 NPC43716
Intermediate Similarity 0.7188 NPC138915
Intermediate Similarity 0.7188 NPC163898
Intermediate Similarity 0.7188 NPC475719
Intermediate Similarity 0.7188 NPC101255
Intermediate Similarity 0.7188 NPC292256
Intermediate Similarity 0.7181 NPC133407
Intermediate Similarity 0.7181 NPC28476
Intermediate Similarity 0.7181 NPC9067
Intermediate Similarity 0.7176 NPC134047
Intermediate Similarity 0.7176 NPC272750
Intermediate Similarity 0.7176 NPC327694
Intermediate Similarity 0.7176 NPC223006
Intermediate Similarity 0.7176 NPC173729
Intermediate Similarity 0.7172 NPC98748
Intermediate Similarity 0.7171 NPC196193
Intermediate Similarity 0.7171 NPC473048
Intermediate Similarity 0.7171 NPC11089
Intermediate Similarity 0.7171 NPC475880
Intermediate Similarity 0.717 NPC163508
Intermediate Similarity 0.717 NPC173203
Intermediate Similarity 0.7162 NPC279379
Intermediate Similarity 0.7162 NPC474130
Intermediate Similarity 0.7161 NPC125579
Intermediate Similarity 0.7161 NPC93783
Intermediate Similarity 0.716 NPC478163
Intermediate Similarity 0.716 NPC177100
Intermediate Similarity 0.716 NPC139540
Intermediate Similarity 0.7152 NPC472792
Intermediate Similarity 0.7152 NPC475141
Intermediate Similarity 0.7152 NPC472791
Intermediate Similarity 0.7152 NPC470372
Intermediate Similarity 0.7152 NPC472523
Intermediate Similarity 0.7152 NPC205392
Intermediate Similarity 0.7152 NPC105942
Intermediate Similarity 0.7143 NPC268515
Intermediate Similarity 0.7143 NPC274454
Intermediate Similarity 0.7143 NPC475896
Intermediate Similarity 0.7143 NPC186800
Intermediate Similarity 0.7143 NPC215678
Intermediate Similarity 0.7143 NPC470667
Intermediate Similarity 0.7143 NPC478269
Intermediate Similarity 0.7143 NPC40222
Intermediate Similarity 0.7135 NPC318472
Intermediate Similarity 0.7135 NPC41689
Intermediate Similarity 0.7134 NPC475454
Intermediate Similarity 0.7134 NPC475890
Intermediate Similarity 0.7134 NPC475311
Intermediate Similarity 0.7134 NPC473579
Intermediate Similarity 0.7134 NPC473680
Intermediate Similarity 0.7134 NPC182249
Intermediate Similarity 0.7134 NPC472151
Intermediate Similarity 0.7133 NPC329272
Intermediate Similarity 0.7126 NPC7059
Intermediate Similarity 0.7126 NPC165483
Intermediate Similarity 0.7125 NPC471065
Intermediate Similarity 0.7125 NPC160378
Intermediate Similarity 0.7125 NPC15659
Intermediate Similarity 0.7125 NPC253015
Intermediate Similarity 0.7125 NPC304894
Intermediate Similarity 0.7125 NPC473108
Intermediate Similarity 0.7124 NPC284232
Intermediate Similarity 0.7124 NPC473309
Intermediate Similarity 0.7124 NPC282508
Intermediate Similarity 0.7123 NPC103916
Intermediate Similarity 0.7118 NPC326278
Intermediate Similarity 0.7118 NPC144557
Intermediate Similarity 0.7115 NPC474610
Intermediate Similarity 0.7115 NPC472800
Intermediate Similarity 0.7115 NPC77861
Intermediate Similarity 0.7115 NPC115861

Drug Structure

External Identifiers

TTD   DNC004153
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   9847589
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  471.24
ALogP  -0.7398
MLogP  4.21
XLogP  10.159
HDA  2
HBD  1
Rotatable Bonds  13
TPSA  68.12
RO5 Violation  2