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CHEMBRIDGE-ZINC04070783

 MMsINC code: MMs00761212
Type: Neutral
Formula: C18H28N2O3
SMILES:   O1CCN(CC1)C(=O)C(NC(=O)C12CC3CC(C1)CC(C2)C3)C
InChI:   InChI=1/C18H28N2O3/c1-12(16(21)20-2-4-23-5-3-20)19-17(22)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-15H,2-11H2,1H3,(H,19,22)/t12-,13-,14+,15-,18-/m1/s1

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Potential Energy
Epot(MMFF94)=80.0519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.433 g/mol  logS: -3.84625  SlogP: 1.5663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0866927  Sterimol/B1: 2.31867  Sterimol/B2: 2.62731  Sterimol/B3: 5.28645
  Sterimol/B4: 5.43487  Sterimol/L: 15.782 
 
 Surface and Volume Properties
  Accessible surface: 552.343  Positive charged surface: 437.031  Negative charged surface: 115.313  Volume: 314.875
  Hydrophobic surface: 466.786  Hydrophilic surface: 85.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.