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NANOSIN-ZINC04747308

 MMsINC code: MMs02211212
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)=64.0047 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: 0.110175  Sterimol/B1: 2.67064  Sterimol/B2: 3.615  Sterimol/B3: 4.33564
  Sterimol/B4: 4.45243  Sterimol/L: 14.0915 
 
 Surface and Volume Properties
  Accessible surface: 458.806  Positive charged surface: 345.646  Negative charged surface: 113.16  Volume: 226.125
  Hydrophobic surface: 216.3  Hydrophilic surface: 242.506
 
 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.