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NANOSIN-ZINC04747305

 MMsINC code: MMs02211211
Type: Neutral
Formula: C10H19NO6
SMILES:   O1C(CO)C(O)C(O)C(NC(=O)C(C)C)C1O
InChI:   InChI=1/C10H19NO6/c1-4(2)9(15)11-6-8(14)7(13)5(3-12)17-10(6)16/h4-8,10,12-14,16H,3H2,1-2H3,(H,11,15)/t5-,6+,7+,8+,10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.3682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.263 g/mol  logS: 0.46394  SlogP: -2.4415  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194288  Sterimol/B1: 3.87419  Sterimol/B2: 3.94417  Sterimol/B3: 3.97045
  Sterimol/B4: 4.41592  Sterimol/L: 12.8171 
 
 Surface and Volume Properties
  Accessible surface: 447.989  Positive charged surface: 336.049  Negative charged surface: 111.939  Volume: 224.625
  Hydrophobic surface: 211.651  Hydrophilic surface: 236.338
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.