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ASINEX-ZINC01330447

 MMsINC code: MMs00237254
Type: Neutral
Formula: C17H30N2O2
SMILES:   O=C(NC1CCCCC1)C1(N(C(C)C)C=O)CCCCC1
InChI:   InChI=1/C17H30N2O2/c1-14(2)19(13-20)17(11-7-4-8-12-17)16(21)18-15-9-5-3-6-10-15/h13-15H,3-12H2,1-2H3,(H,18,21)

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Potential Energy
Epot(MMFF94)=90.7621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.439 g/mol  logS: -3.32267  SlogP: 3.005  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138912  Sterimol/B1: 2.54101  Sterimol/B2: 3.59439  Sterimol/B3: 4.80394
  Sterimol/B4: 6.47963  Sterimol/L: 14.3053 
 
 Surface and Volume Properties
  Accessible surface: 516.804  Positive charged surface: 377.129  Negative charged surface: 139.675  Volume: 308.5
  Hydrophobic surface: 430.869  Hydrophilic surface: 85.935
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.