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CHEMBRIDGE-ZINC00439259

 MMsINC code: MMs00615525
Type: Neutral
Formula: C11H18NO2P
SMILES:   P(O)(=O)(CCc1ccccc1)CN(C)C
InChI:   InChI=1/C11H18NO2P/c1-12(2)10-15(13,14)9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.7949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.244 g/mol  logS: -0.4444  SlogP: 0.94837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0573335  Sterimol/B1: 2.50313  Sterimol/B2: 3.01397  Sterimol/B3: 3.78384
  Sterimol/B4: 4.83308  Sterimol/L: 15.092 
 
 Surface and Volume Properties
  Accessible surface: 463.365  Positive charged surface: 322.775  Negative charged surface: 140.59  Volume: 227
  Hydrophobic surface: 398.21  Hydrophilic surface: 65.155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00615526
CHEMBRIDGE-ZINC00439259