Drug Information

Drug ID:  NPD4833
Drug Name:  Dihydrostreptomycin
Molecular Formula:  C21H41N7O12
Canonical SMILES:  OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)CO)C)[C@H]([C@@H]([C@H]1O)O)NC
Standard InCHI:  InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
Standard InCHIKey:  ASXBYYWOLISCLQ-HZYVHMACSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4833

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 NPC57436
High Similarity 1.0 NPC121479
High Similarity 0.9018 NPC94319
Intermediate Similarity 0.8208 NPC56298
Intermediate Similarity 0.8208 NPC471628
Intermediate Similarity 0.802 NPC214376
Intermediate Similarity 0.7921 NPC313552
Intermediate Similarity 0.787 NPC315036
Intermediate Similarity 0.7864 NPC195969
Intermediate Similarity 0.7864 NPC176381
Intermediate Similarity 0.767 NPC43850
Intermediate Similarity 0.767 NPC314408
Intermediate Similarity 0.767 NPC477060
Intermediate Similarity 0.767 NPC123746
Intermediate Similarity 0.767 NPC314007
Intermediate Similarity 0.7642 NPC315334
Intermediate Similarity 0.7525 NPC263058
Intermediate Similarity 0.75 NPC330590
Intermediate Similarity 0.7426 NPC315969
Intermediate Similarity 0.7373 NPC241597
Intermediate Similarity 0.7345 NPC221148
Intermediate Similarity 0.72 NPC68327
Intermediate Similarity 0.7075 NPC306838
Intermediate Similarity 0.7063 NPC75839
Intermediate Similarity 0.704 NPC139857
Remote Similarity 0.6983 NPC189854
Remote Similarity 0.6983 NPC322449
Remote Similarity 0.6983 NPC62845
Remote Similarity 0.6983 NPC92874
Remote Similarity 0.6983 NPC166242
Remote Similarity 0.6923 NPC325900
Remote Similarity 0.6923 NPC10897
Remote Similarity 0.6897 NPC314413
Remote Similarity 0.6897 NPC314398
Remote Similarity 0.6897 NPC239705
Remote Similarity 0.6893 NPC100204
Remote Similarity 0.6893 NPC83248
Remote Similarity 0.6857 NPC165119
Remote Similarity 0.6757 NPC328646
Remote Similarity 0.6731 NPC70574
Remote Similarity 0.6731 NPC318258
Remote Similarity 0.6697 NPC470282
Remote Similarity 0.6635 NPC98750
Remote Similarity 0.6604 NPC271772
Remote Similarity 0.6604 NPC36927
Remote Similarity 0.656 NPC313813
Remote Similarity 0.6476 NPC316807
Remote Similarity 0.6446 NPC59589
Remote Similarity 0.6385 NPC20035
Remote Similarity 0.6385 NPC471262
Remote Similarity 0.6355 NPC471420
Remote Similarity 0.6349 NPC259586
Remote Similarity 0.6339 NPC470284
Remote Similarity 0.6299 NPC222481
Remote Similarity 0.6299 NPC470621
Remote Similarity 0.6241 NPC471263
Remote Similarity 0.6226 NPC314772
Remote Similarity 0.6226 NPC314968
Remote Similarity 0.6168 NPC150557
Remote Similarity 0.6068 NPC470283
Remote Similarity 0.6048 NPC317534
Remote Similarity 0.604 NPC291650
Remote Similarity 0.604 NPC322801
Remote Similarity 0.604 NPC129100
Remote Similarity 0.6034 NPC208537
Remote Similarity 0.6034 NPC270005
Remote Similarity 0.6 NPC471256
Remote Similarity 0.597 NPC471255
Remote Similarity 0.5865 NPC327753
Remote Similarity 0.5865 NPC327486
Remote Similarity 0.5865 NPC223174
Remote Similarity 0.5841 NPC476523
Remote Similarity 0.5841 NPC253975
Remote Similarity 0.5841 NPC125253
Remote Similarity 0.5841 NPC192025
Remote Similarity 0.5789 NPC83839
Remote Similarity 0.5779 NPC477398
Remote Similarity 0.5755 NPC474468
Remote Similarity 0.5745 NPC262050
Remote Similarity 0.5702 NPC313821
Remote Similarity 0.5692 NPC314306
Remote Similarity 0.5688 NPC313762
Remote Similarity 0.5669 NPC315426
Remote Similarity 0.566 NPC476694
Remote Similarity 0.566 NPC476696
Remote Similarity 0.566 NPC476695
Remote Similarity 0.5643 NPC476967

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  583.28
ALogP  -6.1067
MLogP  1.68
XLogP  -3.775
HDA  19
HBD  15
Rotatable Bonds  23
TPSA  334.59
RO5 Violation  3