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ASINEX-ZINC01737322

 MMsINC code: MMs00255969
Type: Neutral
Formula: C13H21O3P
SMILES:   P(OC(C)C)(OC(C)C)(=O)Cc1ccccc1
InChI:   InChI=1/C13H21O3P/c1-11(2)15-17(14,16-12(3)4)10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3

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Potential Energy
Epot(MMFF94)=37.1363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.282 g/mol  logS: -2.68812  SlogP: 3.4259  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131379  Sterimol/B1: 2.23893  Sterimol/B2: 3.11984  Sterimol/B3: 3.96829
  Sterimol/B4: 7.16411  Sterimol/L: 13.6186 
 
 Surface and Volume Properties
  Accessible surface: 500.479  Positive charged surface: 318.62  Negative charged surface: 181.859  Volume: 260.5
  Hydrophobic surface: 403.045  Hydrophilic surface: 97.434
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.