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CHEMBRIDGE-ZINC04703418

 MMsINC code: MMs00778794
Type: Neutral
Formula: C15H29N3O
SMILES:   O=C(N1CCC(N2CCN(CC2)C)CC1)CC(C)C
InChI:   InChI=1/C15H29N3O/c1-13(2)12-15(19)18-6-4-14(5-7-18)17-10-8-16(3)9-11-17/h13-14H,4-12H2,1-3H3

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Potential Energy
Epot(MMFF94)=61.1977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.417 g/mol  logS: -1.39369  SlogP: 1.2709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0476788  Sterimol/B1: 2.2297  Sterimol/B2: 2.4328  Sterimol/B3: 4.42577
  Sterimol/B4: 5.7193  Sterimol/L: 17.0629 
 
 Surface and Volume Properties
  Accessible surface: 536.396  Positive charged surface: 466.421  Negative charged surface: 69.9754  Volume: 291.25
  Hydrophobic surface: 469.314  Hydrophilic surface: 67.082
 
 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


MMs00778795
CHEMBRIDGE-ZINC04703418