Drug Information

Drug ID:  NPD5697
Drug Name:  Prednisolone Acetate
Molecular Formula:  C23H30O6
Canonical SMILES:  CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
Standard InCHI:  InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
Standard InCHIKey:  LRJOMUJRLNCICJ-JZYPGELDSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5697

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 1.0 NPC44063
High Similarity 0.98 NPC2766
High Similarity 0.9388 NPC144956
High Similarity 0.9184 NPC18509
High Similarity 0.902 NPC235889
High Similarity 0.8962 NPC71348
High Similarity 0.8932 NPC181265
High Similarity 0.8889 NPC270958
High Similarity 0.8868 NPC43775
High Similarity 0.8835 NPC137657
High Similarity 0.8824 NPC22388
High Similarity 0.8807 NPC471854
High Similarity 0.8785 NPC475524
High Similarity 0.8785 NPC100267
High Similarity 0.8774 NPC197428
High Similarity 0.8727 NPC118638
High Similarity 0.8727 NPC257457
High Similarity 0.8727 NPC311554
High Similarity 0.8713 NPC114274
High Similarity 0.8704 NPC202889
High Similarity 0.8704 NPC194100
High Similarity 0.8692 NPC118860
High Similarity 0.8692 NPC214797
High Similarity 0.8692 NPC231589
High Similarity 0.8679 NPC241927
High Similarity 0.8679 NPC258543
High Similarity 0.8673 NPC185936
High Similarity 0.8673 NPC168027
High Similarity 0.8667 NPC475294
High Similarity 0.8654 NPC29705
High Similarity 0.8641 NPC271266
High Similarity 0.8641 NPC308351
High Similarity 0.8611 NPC170487
High Similarity 0.8598 NPC235077
High Similarity 0.8586 NPC109414
High Similarity 0.8585 NPC94529
High Similarity 0.8571 NPC196528
High Similarity 0.8558 NPC311612
High Similarity 0.8545 NPC148458
High Similarity 0.8544 NPC476240
High Similarity 0.8544 NPC81530
High Similarity 0.8544 NPC476223
High Similarity 0.8544 NPC224720
High Similarity 0.8529 NPC477854
High Similarity 0.8515 NPC96859
High Similarity 0.8515 NPC305483
High Similarity 0.8515 NPC477853
High Similarity 0.8515 NPC328162
High Similarity 0.8505 NPC214644
High Similarity 0.8505 NPC304495
High Similarity 0.8505 NPC41405
Intermediate Similarity 0.8491 NPC185
Intermediate Similarity 0.8491 NPC220974
Intermediate Similarity 0.8469 NPC326627
Intermediate Similarity 0.8469 NPC310010
Intermediate Similarity 0.8468 NPC239273
Intermediate Similarity 0.8462 NPC119601
Intermediate Similarity 0.8462 NPC308726
Intermediate Similarity 0.8462 NPC473928
Intermediate Similarity 0.8462 NPC87351
Intermediate Similarity 0.8462 NPC136289
Intermediate Similarity 0.8447 NPC476274
Intermediate Similarity 0.8447 NPC472972
Intermediate Similarity 0.844 NPC221144
Intermediate Similarity 0.844 NPC147180
Intermediate Similarity 0.844 NPC264634
Intermediate Similarity 0.844 NPC280782
Intermediate Similarity 0.8431 NPC108078
Intermediate Similarity 0.8421 NPC313528
Intermediate Similarity 0.8416 NPC317586
Intermediate Similarity 0.8416 NPC470016
Intermediate Similarity 0.8416 NPC477438
Intermediate Similarity 0.8416 NPC477437
Intermediate Similarity 0.8416 NPC469599
Intermediate Similarity 0.8411 NPC472825
Intermediate Similarity 0.84 NPC470376
Intermediate Similarity 0.84 NPC477435
Intermediate Similarity 0.84 NPC470375
Intermediate Similarity 0.84 NPC477436
Intermediate Similarity 0.8396 NPC265127
Intermediate Similarity 0.8396 NPC231530
Intermediate Similarity 0.8396 NPC278628
Intermediate Similarity 0.8396 NPC470267
Intermediate Similarity 0.8381 NPC140723
Intermediate Similarity 0.8367 NPC328539
Intermediate Similarity 0.8365 NPC477052
Intermediate Similarity 0.8365 NPC477051
Intermediate Similarity 0.8365 NPC477053
Intermediate Similarity 0.8365 NPC163372
Intermediate Similarity 0.8365 NPC302537
Intermediate Similarity 0.8364 NPC962
Intermediate Similarity 0.8364 NPC52634
Intermediate Similarity 0.8364 NPC250109
Intermediate Similarity 0.835 NPC222011
Intermediate Similarity 0.8349 NPC207689
Intermediate Similarity 0.8333 NPC49371
Intermediate Similarity 0.8333 NPC192428
Intermediate Similarity 0.8319 NPC61520
Intermediate Similarity 0.8317 NPC166906
Intermediate Similarity 0.8317 NPC477439
Intermediate Similarity 0.8317 NPC111015
Intermediate Similarity 0.83 NPC154101
Intermediate Similarity 0.8286 NPC477054
Intermediate Similarity 0.8283 NPC305039
Intermediate Similarity 0.8283 NPC475921
Intermediate Similarity 0.8283 NPC474704
Intermediate Similarity 0.8276 NPC473255
Intermediate Similarity 0.8273 NPC152117
Intermediate Similarity 0.8273 NPC234042
Intermediate Similarity 0.8269 NPC83709
Intermediate Similarity 0.8269 NPC474720
Intermediate Similarity 0.8269 NPC15390
Intermediate Similarity 0.8261 NPC222688
Intermediate Similarity 0.8257 NPC5284
Intermediate Similarity 0.8252 NPC473456
Intermediate Similarity 0.8252 NPC226986
Intermediate Similarity 0.8252 NPC107243
Intermediate Similarity 0.8252 NPC57416
Intermediate Similarity 0.8252 NPC43747
Intermediate Similarity 0.8252 NPC69385
Intermediate Similarity 0.8246 NPC109973
Intermediate Similarity 0.8241 NPC469844
Intermediate Similarity 0.8241 NPC470269
Intermediate Similarity 0.8241 NPC177064
Intermediate Similarity 0.8235 NPC184848
Intermediate Similarity 0.8235 NPC69548
Intermediate Similarity 0.823 NPC329736
Intermediate Similarity 0.8224 NPC60681
Intermediate Similarity 0.8224 NPC475571
Intermediate Similarity 0.8224 NPC257353
Intermediate Similarity 0.8218 NPC79117
Intermediate Similarity 0.8218 NPC294263
Intermediate Similarity 0.8218 NPC233118
Intermediate Similarity 0.8214 NPC266728
Intermediate Similarity 0.8214 NPC298278
Intermediate Similarity 0.8214 NPC49492
Intermediate Similarity 0.8208 NPC179208
Intermediate Similarity 0.8208 NPC191892
Intermediate Similarity 0.8208 NPC70967
Intermediate Similarity 0.8208 NPC111323
Intermediate Similarity 0.8208 NPC159442
Intermediate Similarity 0.8208 NPC112009
Intermediate Similarity 0.8208 NPC33973
Intermediate Similarity 0.8208 NPC264048
Intermediate Similarity 0.8208 NPC470839
Intermediate Similarity 0.8208 NPC236390
Intermediate Similarity 0.82 NPC471896
Intermediate Similarity 0.8198 NPC255017
Intermediate Similarity 0.8198 NPC472926
Intermediate Similarity 0.819 NPC474327
Intermediate Similarity 0.819 NPC473979
Intermediate Similarity 0.8174 NPC470921
Intermediate Similarity 0.8173 NPC197386
Intermediate Similarity 0.8173 NPC176845
Intermediate Similarity 0.8173 NPC477813
Intermediate Similarity 0.8165 NPC475941
Intermediate Similarity 0.8165 NPC474901
Intermediate Similarity 0.8163 NPC327115
Intermediate Similarity 0.8158 NPC472933
Intermediate Similarity 0.8155 NPC471039
Intermediate Similarity 0.8155 NPC95565
Intermediate Similarity 0.8155 NPC173272
Intermediate Similarity 0.8155 NPC249954
Intermediate Similarity 0.8155 NPC471153
Intermediate Similarity 0.8155 NPC13949
Intermediate Similarity 0.8148 NPC3316
Intermediate Similarity 0.8148 NPC472925
Intermediate Similarity 0.8148 NPC144854
Intermediate Similarity 0.8148 NPC83744
Intermediate Similarity 0.8142 NPC470959
Intermediate Similarity 0.8142 NPC243065
Intermediate Similarity 0.8142 NPC476965
Intermediate Similarity 0.8137 NPC196485
Intermediate Similarity 0.8137 NPC272635
Intermediate Similarity 0.8137 NPC245972
Intermediate Similarity 0.8137 NPC169751
Intermediate Similarity 0.8137 NPC471040
Intermediate Similarity 0.8136 NPC470882
Intermediate Similarity 0.8136 NPC473265
Intermediate Similarity 0.8136 NPC473253
Intermediate Similarity 0.8131 NPC255309
Intermediate Similarity 0.8131 NPC2436
Intermediate Similarity 0.8131 NPC470251
Intermediate Similarity 0.8131 NPC472228
Intermediate Similarity 0.8131 NPC472227
Intermediate Similarity 0.8131 NPC135854
Intermediate Similarity 0.8131 NPC96268
Intermediate Similarity 0.8131 NPC75531
Intermediate Similarity 0.8131 NPC216245
Intermediate Similarity 0.8131 NPC471293
Intermediate Similarity 0.8131 NPC149124
Intermediate Similarity 0.8125 NPC470953
Intermediate Similarity 0.8125 NPC473798
Intermediate Similarity 0.8119 NPC218301
Intermediate Similarity 0.8119 NPC23434
Intermediate Similarity 0.8119 NPC272746
Intermediate Similarity 0.8113 NPC195290
Intermediate Similarity 0.8113 NPC204450
Intermediate Similarity 0.8113 NPC477915
Intermediate Similarity 0.8113 NPC473424

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  402.20
ALogP  -0.4786
MLogP  3.33
XLogP  1.332
HDA  6
HBD  2
Rotatable Bonds  9
TPSA  100.9
RO5 Violation  0