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IBS-ZINC05478299

 MMsINC code: MMs01951743
Type: Neutral
Formula: C9H11O2P
SMILES:   [PH](O)(=O)C1Cc2c(C1)cccc2
InChI:   InChI=1/C9H11O2P/c10-12(11)9-5-7-3-1-2-4-8(7)6-9/h1-4,9,12H,5-6H2,(H,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.91215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.159 g/mol  logS: -1.63621  SlogP: 0.55054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186899  Sterimol/B1: 2.57485  Sterimol/B2: 3.35055  Sterimol/B3: 4.07027
  Sterimol/B4: 4.51078  Sterimol/L: 10.9522 
 
 Surface and Volume Properties
  Accessible surface: 371.256  Positive charged surface: 199.12  Negative charged surface: 172.136  Volume: 169.5
  Hydrophobic surface: 280.143  Hydrophilic surface: 91.113
 
 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.