Drug Information

Drug ID:  NPD4767
Drug Name:  Hydrocortisone Sodium Phosphate
Molecular Formula:  C21H31O8P.2Na
Canonical SMILES:  O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-])C)C.[Na+].[Na+]
Standard InCHI:  InChI=1S/C21H31O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1/p-2/t14-,15-,16-,18+,19-,20-,21-;;/m0../s1
Standard InCHIKey:  RYJIRNNXCHOUTQ-OJJGEMKLSA-L
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4767

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 0.9278 NPC18509
High Similarity 0.9091 NPC144956
High Similarity 0.8763 NPC185936
High Similarity 0.8763 NPC168027
High Similarity 0.8571 NPC44063
High Similarity 0.8557 NPC326627
High Similarity 0.8557 NPC310010
Intermediate Similarity 0.8454 NPC328539
Intermediate Similarity 0.8416 NPC49371
Intermediate Similarity 0.8416 NPC192428
Intermediate Similarity 0.8411 NPC2766
Intermediate Similarity 0.84 NPC111015
Intermediate Similarity 0.835 NPC15390
Intermediate Similarity 0.8333 NPC235077
Intermediate Similarity 0.83 NPC233118
Intermediate Similarity 0.8286 NPC311612
Intermediate Similarity 0.8286 NPC191892
Intermediate Similarity 0.8286 NPC117185
Intermediate Similarity 0.8273 NPC73300
Intermediate Similarity 0.8273 NPC108721
Intermediate Similarity 0.8247 NPC327115
Intermediate Similarity 0.8241 NPC214644
Intermediate Similarity 0.8224 NPC165873
Intermediate Similarity 0.8224 NPC185
Intermediate Similarity 0.8224 NPC83744
Intermediate Similarity 0.8218 NPC196485
Intermediate Similarity 0.8218 NPC245972
Intermediate Similarity 0.8208 NPC137657
Intermediate Similarity 0.819 NPC87351
Intermediate Similarity 0.819 NPC477915
Intermediate Similarity 0.8182 NPC76879
Intermediate Similarity 0.8182 NPC477943
Intermediate Similarity 0.8182 NPC474245
Intermediate Similarity 0.8182 NPC86319
Intermediate Similarity 0.8182 NPC1015
Intermediate Similarity 0.8182 NPC275740
Intermediate Similarity 0.8182 NPC31985
Intermediate Similarity 0.8173 NPC154072
Intermediate Similarity 0.8173 NPC474720
Intermediate Similarity 0.8155 NPC190554
Intermediate Similarity 0.8148 NPC329417
Intermediate Similarity 0.8137 NPC473170
Intermediate Similarity 0.8131 NPC260268
Intermediate Similarity 0.8131 NPC49958
Intermediate Similarity 0.8131 NPC214264
Intermediate Similarity 0.8131 NPC48733
Intermediate Similarity 0.8131 NPC302607
Intermediate Similarity 0.8131 NPC296945
Intermediate Similarity 0.8131 NPC150531
Intermediate Similarity 0.8131 NPC476027
Intermediate Similarity 0.8131 NPC202167
Intermediate Similarity 0.8131 NPC171137
Intermediate Similarity 0.8131 NPC152695
Intermediate Similarity 0.8131 NPC50692
Intermediate Similarity 0.8131 NPC85829
Intermediate Similarity 0.8131 NPC319077
Intermediate Similarity 0.8131 NPC257353
Intermediate Similarity 0.8131 NPC97202
Intermediate Similarity 0.8119 NPC475255
Intermediate Similarity 0.81 NPC171441
Intermediate Similarity 0.8081 NPC131470
Intermediate Similarity 0.8081 NPC143767
Intermediate Similarity 0.8073 NPC11710
Intermediate Similarity 0.8061 NPC20688
Intermediate Similarity 0.8058 NPC96859
Intermediate Similarity 0.8058 NPC305483
Intermediate Similarity 0.8058 NPC249954
Intermediate Similarity 0.8058 NPC328162
Intermediate Similarity 0.8056 NPC58370
Intermediate Similarity 0.8056 NPC475060
Intermediate Similarity 0.8056 NPC43285
Intermediate Similarity 0.8056 NPC477916
Intermediate Similarity 0.8056 NPC220229
Intermediate Similarity 0.8041 NPC237712
Intermediate Similarity 0.8041 NPC329043
Intermediate Similarity 0.8041 NPC321187
Intermediate Similarity 0.8041 NPC144258
Intermediate Similarity 0.8041 NPC58841
Intermediate Similarity 0.8041 NPC161423
Intermediate Similarity 0.8041 NPC227064
Intermediate Similarity 0.8037 NPC204833
Intermediate Similarity 0.8037 NPC209502
Intermediate Similarity 0.8019 NPC22388
Intermediate Similarity 0.8019 NPC473424
Intermediate Similarity 0.8 NPC83709
Intermediate Similarity 0.7982 NPC217201
Intermediate Similarity 0.798 NPC475740
Intermediate Similarity 0.7963 NPC196528
Intermediate Similarity 0.7963 NPC60681
Intermediate Similarity 0.7963 NPC149047
Intermediate Similarity 0.7961 NPC472485
Intermediate Similarity 0.7961 NPC259286
Intermediate Similarity 0.7961 NPC472932
Intermediate Similarity 0.7959 NPC470574
Intermediate Similarity 0.7959 NPC36350
Intermediate Similarity 0.7946 NPC194100
Intermediate Similarity 0.7944 NPC249187
Intermediate Similarity 0.7944 NPC247957
Intermediate Similarity 0.7944 NPC111323
Intermediate Similarity 0.7941 NPC69454
Intermediate Similarity 0.7941 NPC12722
Intermediate Similarity 0.7941 NPC470375
Intermediate Similarity 0.7941 NPC470376
Intermediate Similarity 0.7941 NPC472930
Intermediate Similarity 0.7938 NPC64600
Intermediate Similarity 0.7928 NPC43775
Intermediate Similarity 0.7925 NPC163372
Intermediate Similarity 0.7925 NPC302537
Intermediate Similarity 0.7921 NPC183283
Intermediate Similarity 0.7909 NPC470257
Intermediate Similarity 0.7905 NPC147954
Intermediate Similarity 0.7905 NPC114274
Intermediate Similarity 0.79 NPC470417
Intermediate Similarity 0.79 NPC471722
Intermediate Similarity 0.79 NPC471941
Intermediate Similarity 0.7895 NPC471854
Intermediate Similarity 0.7885 NPC477853
Intermediate Similarity 0.7879 NPC474733
Intermediate Similarity 0.7879 NPC51014
Intermediate Similarity 0.7879 NPC145879
Intermediate Similarity 0.7879 NPC31564
Intermediate Similarity 0.7879 NPC474732
Intermediate Similarity 0.7879 NPC474778
Intermediate Similarity 0.7879 NPC72133
Intermediate Similarity 0.787 NPC75531
Intermediate Similarity 0.787 NPC235889
Intermediate Similarity 0.787 NPC149124
Intermediate Similarity 0.787 NPC72255
Intermediate Similarity 0.7864 NPC166906
Intermediate Similarity 0.7864 NPC8993
Intermediate Similarity 0.7857 NPC82902
Intermediate Similarity 0.7857 NPC100267
Intermediate Similarity 0.7857 NPC280782
Intermediate Similarity 0.7857 NPC207251
Intermediate Similarity 0.7857 NPC85774
Intermediate Similarity 0.7857 NPC475524
Intermediate Similarity 0.7857 NPC214043
Intermediate Similarity 0.7857 NPC71348
Intermediate Similarity 0.785 NPC185530
Intermediate Similarity 0.785 NPC308726
Intermediate Similarity 0.785 NPC473928
Intermediate Similarity 0.785 NPC119601
Intermediate Similarity 0.7843 NPC473998
Intermediate Similarity 0.7843 NPC475806
Intermediate Similarity 0.7843 NPC99380
Intermediate Similarity 0.7843 NPC155304
Intermediate Similarity 0.7843 NPC63748
Intermediate Similarity 0.7843 NPC272746
Intermediate Similarity 0.7843 NPC472978
Intermediate Similarity 0.7835 NPC193347
Intermediate Similarity 0.783 NPC110149
Intermediate Similarity 0.7826 NPC257457
Intermediate Similarity 0.7826 NPC311554
Intermediate Similarity 0.7822 NPC32830
Intermediate Similarity 0.7822 NPC119416
Intermediate Similarity 0.7822 NPC309603
Intermediate Similarity 0.7822 NPC474704
Intermediate Similarity 0.7822 NPC186688
Intermediate Similarity 0.7822 NPC473999
Intermediate Similarity 0.7822 NPC475921
Intermediate Similarity 0.7818 NPC94529
Intermediate Similarity 0.7818 NPC65941
Intermediate Similarity 0.7818 NPC177064
Intermediate Similarity 0.781 NPC43747
Intermediate Similarity 0.7807 NPC270958
Intermediate Similarity 0.78 NPC58063
Intermediate Similarity 0.78 NPC90652
Intermediate Similarity 0.78 NPC317590
Intermediate Similarity 0.7798 NPC181265
Intermediate Similarity 0.7788 NPC472824
Intermediate Similarity 0.7788 NPC271195
Intermediate Similarity 0.7788 NPC317586
Intermediate Similarity 0.7788 NPC962
Intermediate Similarity 0.7788 NPC280725
Intermediate Similarity 0.7788 NPC250109
Intermediate Similarity 0.7788 NPC470016
Intermediate Similarity 0.7788 NPC202889
Intermediate Similarity 0.7788 NPC317210
Intermediate Similarity 0.7788 NPC52634
Intermediate Similarity 0.7778 NPC469948
Intermediate Similarity 0.7778 NPC474218
Intermediate Similarity 0.7778 NPC197823
Intermediate Similarity 0.7778 NPC26478
Intermediate Similarity 0.7768 NPC207689
Intermediate Similarity 0.7767 NPC109414
Intermediate Similarity 0.7767 NPC474807
Intermediate Similarity 0.7748 NPC304495
Intermediate Similarity 0.7745 NPC320026
Intermediate Similarity 0.7745 NPC134321
Intermediate Similarity 0.7745 NPC128672
Intermediate Similarity 0.7745 NPC48010
Intermediate Similarity 0.7745 NPC85173
Intermediate Similarity 0.7745 NPC126993
Intermediate Similarity 0.7745 NPC191684
Intermediate Similarity 0.7745 NPC129913
Intermediate Similarity 0.7736 NPC477854
Intermediate Similarity 0.7736 NPC191565
Intermediate Similarity 0.7727 NPC220974
Intermediate Similarity 0.7727 NPC144459
Intermediate Similarity 0.7723 NPC328313

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  440.16
ALogP  -2.413
MLogP  2.78
XLogP  -1.105
HDA  8
HBD  2
Rotatable Bonds  10
TPSA  156.83
RO5 Violation  0