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PUBCHEM-ZINC03629556

 MMsINC code: MMs03026929
Type: Neutral
Formula: C14H23N3O2
SMILES:   O=C1N(C)C(=O)N(C2=C1CCC2)CCN(CC)CC
InChI:   InChI=1/C14H23N3O2/c1-4-16(5-2)9-10-17-12-8-6-7-11(12)13(18)15(3)14(17)19/h4-10H2,1-3H3

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Potential Energy
Epot(MMFF94)=18.589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.357 g/mol  logS: -1.17622  SlogP: 1.6602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109539  Sterimol/B1: 2.30791  Sterimol/B2: 3.2883  Sterimol/B3: 4.78937
  Sterimol/B4: 7.26519  Sterimol/L: 13.2801 
 
 Surface and Volume Properties
  Accessible surface: 511.86  Positive charged surface: 391.704  Negative charged surface: 120.156  Volume: 272.625
  Hydrophobic surface: 401.339  Hydrophilic surface: 110.521
 
 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


MMs03026930
PUBCHEM-ZINC03629556