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CHEMBRIDGE-ZINC04070782

 MMsINC code: MMs00761211
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-/m0/s1

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Potential Energy
Epot(MMFF94)=79.739 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: 0.10598  Sterimol/B1: 2.19853  Sterimol/B2: 2.83697  Sterimol/B3: 4.71974
  Sterimol/B4: 6.60685  Sterimol/L: 15.3358 
 
 Surface and Volume Properties
  Accessible surface: 557.624  Positive charged surface: 445.312  Negative charged surface: 112.312  Volume: 315.75
  Hydrophobic surface: 475.651  Hydrophilic surface: 81.973
 
 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.