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NCID-ZINC01720996

 MMsINC code: MMs02345889
Type: Neutral
Formula: C14H23O2P
SMILES:   P(O)(=O)(C(C)(C)C)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C14H23O2P/c1-13(2,3)11-7-9-12(10-8-11)17(15,16)14(4,5)6/h7-10H,1-6H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=54.0353 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.31 g/mol  logS: -3.83671  SlogP: 2.6081  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114276  Sterimol/B1: 2.99935  Sterimol/B2: 3.27567  Sterimol/B3: 4.1823
  Sterimol/B4: 4.7546  Sterimol/L: 13.8136 
 
 Surface and Volume Properties
  Accessible surface: 480.89  Positive charged surface: 292.207  Negative charged surface: 188.683  Volume: 265
  Hydrophobic surface: 315.955  Hydrophilic surface: 164.935
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.