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CHEMSTAR-ZINC03114449

 MMsINC code: MMs01083506
Type: Neutral
Formula: C18H31N2O4P
SMILES:   P(OCC)(OCC)(=O)C(NC(=O)Nc1ccc(cc1)C)(CC(C)C)C
InChI:   InChI=1/C18H31N2O4P/c1-7-23-25(22,24-8-2)18(6,13-14(3)4)20-17(21)19-16-11-9-15(5)10-12-16/h9-12,14H,7-8,13H2,1-6H3,(H2,19,20,21)/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=87.0738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.43 g/mol  logS: -4.51996  SlogP: 4.07472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0554255  Sterimol/B1: 2.14894  Sterimol/B2: 3.33728  Sterimol/B3: 3.9469
  Sterimol/B4: 10.1932  Sterimol/L: 18.3615 
 
 Surface and Volume Properties
  Accessible surface: 659.363  Positive charged surface: 444.997  Negative charged surface: 214.366  Volume: 366.875
  Hydrophobic surface: 504.13  Hydrophilic surface: 155.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.