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ASINEX-ZINC00300419

 MMsINC code: MMs00113648
Type: Neutral
Formula: C15H28N2O
SMILES:   O=C(N1CCN(CC1)C(C)C)CCC1CCCC1
InChI:   InChI=1/C15H28N2O/c1-13(2)16-9-11-17(12-10-16)15(18)8-7-14-5-3-4-6-14/h13-14H,3-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=56.0922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.402 g/mol  logS: -3.04146  SlogP: 2.5094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0441734  Sterimol/B1: 2.11675  Sterimol/B2: 3.28926  Sterimol/B3: 3.57544
  Sterimol/B4: 6.11204  Sterimol/L: 16.7946 
 
 Surface and Volume Properties
  Accessible surface: 528.009  Positive charged surface: 429.377  Negative charged surface: 98.6326  Volume: 280.625
  Hydrophobic surface: 457.548  Hydrophilic surface: 70.461
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00113649
ASINEX-ZINC00300419