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ASINEX-ZINC04895453

 MMsINC code: MMs00397798
Type: Neutral
Formula: C14H27N3O
SMILES:   O=C(N1CCC(CC1)C)CN1CCN(CC1)CC
InChI:   InChI=1/C14H27N3O/c1-3-15-8-10-16(11-9-15)12-14(18)17-6-4-13(2)5-7-17/h13H,3-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=71.9043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.39 g/mol  logS: -1.19832  SlogP: 0.8824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.046432  Sterimol/B1: 2.97563  Sterimol/B2: 3.17212  Sterimol/B3: 3.64875
  Sterimol/B4: 4.85879  Sterimol/L: 17.16 
 
 Surface and Volume Properties
  Accessible surface: 518.041  Positive charged surface: 441.817  Negative charged surface: 76.2238  Volume: 273.25
  Hydrophobic surface: 447.559  Hydrophilic surface: 70.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00397799
ASINEX-ZINC04895453