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NCID-ZINC01738713

 MMsINC code: MMs02358884
Type: Neutral
Formula: C17H32N2O
SMILES:   O=C(N(C1CCCCC1)C1CCCCC1)NCCCC
InChI:   InChI=1/C17H32N2O/c1-2-3-14-18-17(20)19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,2-14H2,1H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=25.981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.456 g/mol  logS: -3.48482  SlogP: 4.4635  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123343  Sterimol/B1: 2.59683  Sterimol/B2: 3.61813  Sterimol/B3: 3.67167
  Sterimol/B4: 7.92917  Sterimol/L: 15.3958 
 
 Surface and Volume Properties
  Accessible surface: 564.992  Positive charged surface: 448.856  Negative charged surface: 116.136  Volume: 310.125
  Hydrophobic surface: 526.3  Hydrophilic surface: 38.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.