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NCID-ZINC01712128

 MMsINC code: MMs02338943
Type: Neutral
Formula: C14H31OP
SMILES:   P(=O)(CC(C)C)(CCC(C)C)CCCCC
InChI:   InChI=1/C14H31OP/c1-6-7-8-10-16(15,12-14(4)5)11-9-13(2)3/h13-14H,6-12H2,1-5H3/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=18.2097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.375 g/mol  logS: -2.95185  SlogP: 4.1716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0850447  Sterimol/B1: 3.30323  Sterimol/B2: 3.6276  Sterimol/B3: 4.00277
  Sterimol/B4: 8.1625  Sterimol/L: 15.4186 
 
 Surface and Volume Properties
  Accessible surface: 549.918  Positive charged surface: 412.28  Negative charged surface: 137.637  Volume: 289.875
  Hydrophobic surface: 434.975  Hydrophilic surface: 114.943
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.