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ASINEX-ZINC03121409

 MMsINC code: MMs00286330
Type: Neutral
Formula: C10H17O3P
SMILES:   P(O)(O)(=O)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C10H17O3P/c11-14(12,13)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2,(H2,11,12,13)/t7-,8+,9-,10-

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Potential Energy
Epot(MMFF94)=-18.8527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.217 g/mol  logS: -1.7475  SlogP: 1.0627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.416799  Sterimol/B1: 2.6302  Sterimol/B2: 3.29358  Sterimol/B3: 4.59844
  Sterimol/B4: 4.9053  Sterimol/L: 10.0166 
 
 Surface and Volume Properties
  Accessible surface: 368.916  Positive charged surface: 262.925  Negative charged surface: 105.991  Volume: 193.75
  Hydrophobic surface: 250.622  Hydrophilic surface: 118.294
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.