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NCID-ZINC01599052

 MMsINC code: MMs02252459
Type: Neutral
Formula: C12H21O10P
SMILES:   P(OC(C(OC)=O)C)(OC(C(OC)=O)C)(OC(C(OC)=O)C)=O
InChI:   InChI=1/C12H21O10P/c1-7(10(13)17-4)20-23(16,21-8(2)11(14)18-5)22-9(3)12(15)19-6/h7-9H,1-6H3/t7-,8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=27.2862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.264 g/mol  logS: -2.07208  SlogP: -0.2414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0632198  Sterimol/B1: 2.8945  Sterimol/B2: 3.50237  Sterimol/B3: 3.94916
  Sterimol/B4: 7.8648  Sterimol/L: 15.6432 
 
 Surface and Volume Properties
  Accessible surface: 565.935  Positive charged surface: 404.989  Negative charged surface: 160.946  Volume: 305.875
  Hydrophobic surface: 398.74  Hydrophilic surface: 167.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.