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NCID-ZINC01613071

 MMsINC code: MMs02263257
Type: Neutral
Formula: C14H21OP
SMILES:   P1(=O)(CCCC(CCC1)C)c1ccccc1
InChI:   InChI=1/C14H21OP/c1-13-7-5-11-16(15,12-6-8-13)14-9-3-2-4-10-14/h2-4,9-10,13H,5-8,11-12H2,1H3/t13-,16+

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Potential Energy
Epot(MMFF94)=175.449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.295 g/mol  logS: -2.91248  SlogP: 2.8149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166469  Sterimol/B1: 2.4203  Sterimol/B2: 2.97527  Sterimol/B3: 5.31746
  Sterimol/B4: 5.33883  Sterimol/L: 13.4951 
 
 Surface and Volume Properties
  Accessible surface: 449.688  Positive charged surface: 299.296  Negative charged surface: 150.392  Volume: 244.25
  Hydrophobic surface: 422.647  Hydrophilic surface: 27.041
 
 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.