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NCID-ZINC01621972

 MMsINC code: MMs02269795
Type: Neutral
Formula: C12H11O3P
SMILES:   P(Oc1ccccc1)(O)(=O)c1ccccc1
InChI:   InChI=1/C12H11O3P/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11/h1-10H,(H,13,14)

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Potential Energy
Epot(MMFF94)=30.6824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.191 g/mol  logS: -2.79214  SlogP: 1.5061  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0814036  Sterimol/B1: 3.24672  Sterimol/B2: 3.32847  Sterimol/B3: 3.58662
  Sterimol/B4: 3.90829  Sterimol/L: 14.4729 
 
 Surface and Volume Properties
  Accessible surface: 441.753  Positive charged surface: 220.551  Negative charged surface: 221.202  Volume: 214.25
  Hydrophobic surface: 373.621  Hydrophilic surface: 68.132
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.