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ASINEX-ZINC00300543

 MMsINC code: MMs00113725
Type: Neutral
Formula: C17H30N2O
SMILES:   O=C(N1CCN(CC1)C1CCCC1)CCC1CCCC1
InChI:   InChI=1/C17H30N2O/c20-17(10-9-15-5-1-2-6-15)19-13-11-18(12-14-19)16-7-3-4-8-16/h15-16H,1-14H2

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Potential Energy
Epot(MMFF94)=65.9431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.44 g/mol  logS: -3.34296  SlogP: 3.0436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0588493  Sterimol/B1: 2.15535  Sterimol/B2: 3.46221  Sterimol/B3: 3.87399
  Sterimol/B4: 6.81841  Sterimol/L: 16.7831 
 
 Surface and Volume Properties
  Accessible surface: 560.29  Positive charged surface: 466.362  Negative charged surface: 93.9278  Volume: 305.125
  Hydrophobic surface: 526.911  Hydrophilic surface: 33.379
 
 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


MMs00113726
ASINEX-ZINC00300543