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PUBCHEM-ZINC05793039

 MMsINC code: MMs03388296
Type: Neutral
Formula: C13H27NO
SMILES:   O=C(NC(CCC)C)C(CCCC)CC
InChI:   InChI=1/C13H27NO/c1-5-8-10-12(7-3)13(15)14-11(4)9-6-2/h11-12H,5-10H2,1-4H3,(H,14,15)/t11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=12.9122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.365 g/mol  logS: -3.6063  SlogP: 3.5076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0612104  Sterimol/B1: 2.56251  Sterimol/B2: 3.51784  Sterimol/B3: 4.26693
  Sterimol/B4: 4.84551  Sterimol/L: 15.7599 
 
 Surface and Volume Properties
  Accessible surface: 498.124  Positive charged surface: 371.769  Negative charged surface: 126.355  Volume: 254.375
  Hydrophobic surface: 384.629  Hydrophilic surface: 113.495
 
 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.