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CHEMDIV-ZINC00219795

 MMsINC code: MMs00843056
Type: Neutral
Formula: C14H22N2O2
SMILES:   O=C1N(C(CC1)C(=O)NC1CC1)C1CCCCC1
InChI:   InChI=1/C14H22N2O2/c17-13-9-8-12(14(18)15-10-6-7-10)16(13)11-4-2-1-3-5-11/h10-12H,1-9H2,(H,15,18)/t12-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.1594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.342 g/mol  logS: -2.08574  SlogP: 1.5887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115704  Sterimol/B1: 2.96322  Sterimol/B2: 3.40417  Sterimol/B3: 3.77902
  Sterimol/B4: 7.00569  Sterimol/L: 13.172 
 
 Surface and Volume Properties
  Accessible surface: 491.187  Positive charged surface: 364.843  Negative charged surface: 126.343  Volume: 256
  Hydrophobic surface: 396.512  Hydrophilic surface: 94.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.