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NCID-ZINC04743303

 MMsINC code: MMs02399440
Type: Neutral
Formula: C11H21O4P
SMILES:   P(OC1C2CC(C1)CC2)(OCC)(OCC)=O
InChI:   InChI=1/C11H21O4P/c1-3-13-16(12,14-4-2)15-11-8-9-5-6-10(11)7-9/h9-11H,3-8H2,1-2H3/t9-,10+,11+/m0/s1

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Potential Energy
Epot(MMFF94)=16.3137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.259 g/mol  logS: -2.09123  SlogP: 2.3025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106035  Sterimol/B1: 2.14274  Sterimol/B2: 3.62021  Sterimol/B3: 3.72607
  Sterimol/B4: 7.93894  Sterimol/L: 13.9139 
 
 Surface and Volume Properties
  Accessible surface: 487.815  Positive charged surface: 348.624  Negative charged surface: 139.191  Volume: 239.75
  Hydrophobic surface: 390.848  Hydrophilic surface: 96.967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.