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AURORAFEINCHEMIE-ZINC02552403

 MMsINC code: MMs00454636
Type: Neutral
Formula: C7H9O2P
SMILES:   [PH](O)(=O)Cc1ccccc1
InChI:   InChI=1/C7H9O2P/c8-10(9)6-7-4-2-1-3-5-7/h1-5,10H,6H2,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.3122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.121 g/mol  logS: -1.39087  SlogP: 0.8498  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110635  Sterimol/B1: 2.80196  Sterimol/B2: 3.36192  Sterimol/B3: 3.61699
  Sterimol/B4: 3.62555  Sterimol/L: 11.1672 
 
 Surface and Volume Properties
  Accessible surface: 336.312  Positive charged surface: 165.074  Negative charged surface: 171.238  Volume: 144.625
  Hydrophobic surface: 243.706  Hydrophilic surface: 92.606
 
 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.