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NCID-ZINC04963502

 MMsINC code: MMs02420146
Type: Neutral
Formula: C10H14NO3P
SMILES:   P(OC)(OC)(=O)N1CC1c1ccccc1
InChI:   InChI=1/C10H14NO3P/c1-13-15(12,14-2)11-8-10(11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-,11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.0903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.2 g/mol  logS: -1.30099  SlogP: 1.4695  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.319073  Sterimol/B1: 2.05293  Sterimol/B2: 4.55882  Sterimol/B3: 5.41243
  Sterimol/B4: 5.5929  Sterimol/L: 10.9577 
 
 Surface and Volume Properties
  Accessible surface: 394.549  Positive charged surface: 277.281  Negative charged surface: 117.268  Volume: 207.625
  Hydrophobic surface: 348.717  Hydrophilic surface: 45.832
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.