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ASINEX-ZINC00236117

 MMsINC code: MMs00095782
Type: Neutral
Formula: C16H30N2O
SMILES:   O=C(N(CC(C)=C)CC)C1CCN(CC1)CC(C)C
InChI:   InChI=1/C16H30N2O/c1-6-18(12-14(4)5)16(19)15-7-9-17(10-8-15)11-13(2)3/h13,15H,4,6-12H2,1-3,5H3

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Potential Energy
Epot(MMFF94)=39.3085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.429 g/mol  logS: -1.43501  SlogP: 2.779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0694191  Sterimol/B1: 2.30492  Sterimol/B2: 3.09422  Sterimol/B3: 3.7028
  Sterimol/B4: 7.01145  Sterimol/L: 16.5524 
 
 Surface and Volume Properties
  Accessible surface: 542.965  Positive charged surface: 407.696  Negative charged surface: 135.269  Volume: 303.25
  Hydrophobic surface: 426.109  Hydrophilic surface: 116.856
 
 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


MMs00095783
ASINEX-ZINC00236117