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ENAMINE-ZINC03099490

 MMsINC code: MMs01290290
Type: Neutral
Formula: C17H21O2P
SMILES:   P(=O)(Cc1ccccc1)(Cc1ccccc1)CCCO
InChI:   InChI=1/C17H21O2P/c18-12-7-13-20(19,14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2

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Potential Energy
Epot(MMFF94)=55.6424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.327 g/mol  logS: -2.63729  SlogP: 3.5949  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150356  Sterimol/B1: 2.14299  Sterimol/B2: 3.10875  Sterimol/B3: 4.29073
  Sterimol/B4: 9.98173  Sterimol/L: 13.2257 
 
 Surface and Volume Properties
  Accessible surface: 544.011  Positive charged surface: 342.599  Negative charged surface: 201.413  Volume: 295.875
  Hydrophobic surface: 476.722  Hydrophilic surface: 67.289
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.