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PUBCHEM-ZINC03614100

 MMsINC code: MMs03022600
Type: Neutral
Formula: C14H29N3O2
SMILES:   O(C(C)C)C(=O)N1CCN(CC1)CCNCCCC
InChI:   InChI=1/C14H29N3O2/c1-4-5-6-15-7-8-16-9-11-17(12-10-16)14(18)19-13(2)3/h13,15H,4-12H2,1-3H3

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Potential Energy
Epot(MMFF94)=28.2073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.405 g/mol  logS: -1.24623  SlogP: 1.5387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0387728  Sterimol/B1: 3.21023  Sterimol/B2: 3.38778  Sterimol/B3: 3.88928
  Sterimol/B4: 5.72551  Sterimol/L: 19.5404 
 
 Surface and Volume Properties
  Accessible surface: 592.825  Positive charged surface: 492.175  Negative charged surface: 100.65  Volume: 294
  Hydrophobic surface: 479.207  Hydrophilic surface: 113.618
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03022601
PUBCHEM-ZINC03614100