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PUBCHEM-ZINC00332331

 MMsINC code: MMs02656946
Type: Neutral
Formula: C14H26N2O2
SMILES:   O=CN1CC(N(CC1C(C)(C)C)C=O)C(C)(C)C
InChI:   InChI=1/C14H26N2O2/c1-13(2,3)11-7-16(10-18)12(14(4,5)6)8-15(11)9-17/h9-12H,7-8H2,1-6H3/t11-,12-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.374 g/mol  logS: -1.53014  SlogP: 1.7462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171869  Sterimol/B1: 3.32812  Sterimol/B2: 3.40797  Sterimol/B3: 3.41072
  Sterimol/B4: 6.64559  Sterimol/L: 12.5211 
 
 Surface and Volume Properties
  Accessible surface: 454.843  Positive charged surface: 301.941  Negative charged surface: 152.902  Volume: 266.5
  Hydrophobic surface: 266.468  Hydrophilic surface: 188.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.