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NCID-ZINC01680515

 MMsINC code: MMs02314710
Type: Neutral
Formula: C12H12NO4P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(=O)NO
InChI:   InChI=1/C12H12NO4P/c14-13-18(15,16-11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10,14H,(H,13,15)

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Potential Energy
Epot(MMFF94)=60.0649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.205 g/mol  logS: -2.90485  SlogP: 2.1611  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0439566  Sterimol/B1: 2.097  Sterimol/B2: 3.63193  Sterimol/B3: 3.89059
  Sterimol/B4: 5.44086  Sterimol/L: 14.4194 
 
 Surface and Volume Properties
  Accessible surface: 463.69  Positive charged surface: 245.504  Negative charged surface: 218.186  Volume: 233.5
  Hydrophobic surface: 358.909  Hydrophilic surface: 104.781
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: no related molecules available.