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ENAMINE-ZINC03030619

 MMsINC code: MMs01289106
Type: Neutral
Formula: C7H10NO2P
SMILES:   P(Oc1ccccc1)(=O)(N)C
InChI:   InChI=1/C7H10NO2P/c1-11(8,9)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,8,9)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=11.4787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.136 g/mol  logS: -1.14482  SlogP: 0.7768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0974564  Sterimol/B1: 2.27295  Sterimol/B2: 2.55119  Sterimol/B3: 3.62107
  Sterimol/B4: 5.04085  Sterimol/L: 10.9684 
 
 Surface and Volume Properties
  Accessible surface: 346.756  Positive charged surface: 197.826  Negative charged surface: 148.93  Volume: 155.875
  Hydrophobic surface: 222.248  Hydrophilic surface: 124.508
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.