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ENAMINE-ZINC03177070

 MMsINC code: MMs01296172
Type: Neutral
Formula: C14H16NO3P
SMILES:   P(Oc1ccc(cc1)C)(Oc1ccc(cc1)C)(=O)N
InChI:   InChI=1/C14H16NO3P/c1-11-3-7-13(8-4-11)17-19(15,16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,15,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.8241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.26 g/mol  logS: -4.0493  SlogP: 2.75784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0512198  Sterimol/B1: 2.30505  Sterimol/B2: 3.19419  Sterimol/B3: 4.51741
  Sterimol/B4: 4.69116  Sterimol/L: 16.8204 
 
 Surface and Volume Properties
  Accessible surface: 513.492  Positive charged surface: 291.413  Negative charged surface: 222.079  Volume: 260.875
  Hydrophobic surface: 427.359  Hydrophilic surface: 86.133
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.