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ENAMINE-ZINC06551543

 MMsINC code: MMs01671707
Type: Neutral
Formula: C14H27N3O2
SMILES:   O=C(NC1CCCCCC1)C(NC(=O)N)C(CC)C
InChI:   InChI=1/C14H27N3O2/c1-3-10(2)12(17-14(15)19)13(18)16-11-8-6-4-5-7-9-11/h10-12H,3-9H2,1-2H3,(H,16,18)(H3,15,17,19)/t10-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=35.1423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.389 g/mol  logS: -3.11522  SlogP: 1.9084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111604  Sterimol/B1: 2.40261  Sterimol/B2: 2.40759  Sterimol/B3: 5.19231
  Sterimol/B4: 5.99003  Sterimol/L: 14.2559 
 
 Surface and Volume Properties
  Accessible surface: 505.114  Positive charged surface: 372.577  Negative charged surface: 132.538  Volume: 276.625
  Hydrophobic surface: 338.587  Hydrophilic surface: 166.527
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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.