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PUBCHEM-ZINC02033297

 MMsINC code: MMs02859843
Type: Neutral
Formula: C14H13O2P
SMILES:   P1(OC)(=O)Cc2c(-c3c1cccc3)cccc2
InChI:   InChI=1/C14H13O2P/c1-16-17(15)10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)17/h2-9H,10H2,1H3/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=63.9592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.23 g/mol  logS: -3.72946  SlogP: 2.6132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0468823  Sterimol/B1: 2.93166  Sterimol/B2: 3.17715  Sterimol/B3: 3.76973
  Sterimol/B4: 7.73055  Sterimol/L: 12.5389 
 
 Surface and Volume Properties
  Accessible surface: 444.017  Positive charged surface: 253.574  Negative charged surface: 180.641  Volume: 231.375
  Hydrophobic surface: 409.933  Hydrophilic surface: 34.084
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.