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NCID-ZINC05371033

 MMsINC code: MMs02455853
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-/m0/s1

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Potential Energy
Epot(MMFF94)=15.3676 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: 0.123287  Sterimol/B1: 2.39431  Sterimol/B2: 3.90812  Sterimol/B3: 4.00716
  Sterimol/B4: 5.00142  Sterimol/L: 14.0511 
 
 Surface and Volume Properties
  Accessible surface: 462.764  Positive charged surface: 395.296  Negative charged surface: 67.4681  Volume: 238
  Hydrophobic surface: 427.026  Hydrophilic surface: 35.738
 
 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.