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NCID-ZINC00396382

 MMsINC code: MMs02215530
Type: Neutral
Formula: C14H25NO2
SMILES:   O(C(=O)NC1CCCCC1)C1CCCCC1C
InChI:   InChI=1/C14H25NO2/c1-11-7-5-6-10-13(11)17-14(16)15-12-8-3-2-4-9-12/h11-13H,2-10H2,1H3,(H,15,16)/t11-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=0.393943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.359 g/mol  logS: -2.98398  SlogP: 3.624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0687657  Sterimol/B1: 2.15997  Sterimol/B2: 2.88796  Sterimol/B3: 3.99934
  Sterimol/B4: 6.48732  Sterimol/L: 15.3313 
 
 Surface and Volume Properties
  Accessible surface: 501.019  Positive charged surface: 393.728  Negative charged surface: 107.291  Volume: 256
  Hydrophobic surface: 436.978  Hydrophilic surface: 64.041
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.