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NCID-ZINC01561044

 MMsINC code: MMs02223288
Type: Neutral
Formula: C13H24N2O
SMILES:   O=C(NC1CC2C(CC1)CCCC2)N(C)C
InChI:   InChI=1/C13H24N2O/c1-15(2)13(16)14-12-8-7-10-5-3-4-6-11(10)9-12/h10-12H,3-9H2,1-2H3,(H,14,16)/t10-,11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=5.12226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.348 g/mol  logS: -2.92832  SlogP: 2.6165  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168915  Sterimol/B1: 3.57801  Sterimol/B2: 3.66044  Sterimol/B3: 4.20308
  Sterimol/B4: 4.88237  Sterimol/L: 12.9966 
 
 Surface and Volume Properties
  Accessible surface: 462.084  Positive charged surface: 389.271  Negative charged surface: 72.8137  Volume: 242.5
  Hydrophobic surface: 431.094  Hydrophilic surface: 30.99
 
 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.