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NCID-ZINC01761164

 MMsINC code: MMs02367364
Type: Neutral
Formula: C14H21OP
SMILES:   P1(=O)(C(C)(C)C(C)C1(C)C)c1ccccc1
InChI:   InChI=1/C14H21OP/c1-11-13(2,3)16(15,14(11,4)5)12-9-7-6-8-10-12/h6-11H,1-5H3/t11-,16-

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Potential Energy
Epot(MMFF94)=160.352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.295 g/mol  logS: -2.78734  SlogP: 2.8117  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.297316  Sterimol/B1: 2.89117  Sterimol/B2: 3.86404  Sterimol/B3: 4.87963
  Sterimol/B4: 5.00112  Sterimol/L: 12.1433 
 
 Surface and Volume Properties
  Accessible surface: 437.543  Positive charged surface: 253.352  Negative charged surface: 174.404  Volume: 244.25
  Hydrophobic surface: 338.644  Hydrophilic surface: 98.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.