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NANOSIN-ZINC01498230

 MMsINC code: MMs02194096
Type: Neutral
Formula: C16H17O3P
SMILES:   P(=O)(Cc1ccccc1)(Cc1ccccc1)CC(O)=O
InChI:   InChI=1/C16H17O3P/c17-16(18)13-20(19,11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=42.2375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.283 g/mol  logS: -2.6339  SlogP: 3.2971  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157827  Sterimol/B1: 2.70379  Sterimol/B2: 3.43375  Sterimol/B3: 3.95684
  Sterimol/B4: 8.37487  Sterimol/L: 13.3512 
 
 Surface and Volume Properties
  Accessible surface: 514.125  Positive charged surface: 288.38  Negative charged surface: 225.745  Volume: 278.875
  Hydrophobic surface: 412.838  Hydrophilic surface: 101.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02194097
NANOSIN-ZINC01498230