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NCID-ZINC05370991

 MMsINC code: MMs02455831
Type: Neutral
Formula: C13H23NO2
SMILES:   O(CC)C(=O)NC1CC2C(CC1)CCCC2
InChI:   InChI=1/C13H23NO2/c1-2-16-13(15)14-12-8-7-10-5-3-4-6-11(10)9-12/h10-12H,2-9H2,1H3,(H,14,15)/t10-,11+,12-/m0/s1

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Potential Energy
Epot(MMFF94)=13.3484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.332 g/mol  logS: -3.59712  SlogP: 3.0914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0921149  Sterimol/B1: 3.33372  Sterimol/B2: 3.80028  Sterimol/B3: 3.85342
  Sterimol/B4: 3.98206  Sterimol/L: 15.2243 
 
 Surface and Volume Properties
  Accessible surface: 464.091  Positive charged surface: 364.853  Negative charged surface: 99.2374  Volume: 237.5
  Hydrophobic surface: 382.422  Hydrophilic surface: 81.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.