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CHEMDIV-ZINC00219559

 MMsINC code: MMs00842942
Type: Neutral
Formula: C17H28N2O3
SMILES:   O1CCCC1CNC(=O)C1CC(=O)N(C1)C1CCCCCC1
InChI:   InChI=1/C17H28N2O3/c20-16-10-13(17(21)18-11-15-8-5-9-22-15)12-19(16)14-6-3-1-2-4-7-14/h13-15H,1-12H2,(H,18,21)/t13-,15+/m0/s1

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Potential Energy
Epot(MMFF94)=45.3086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.422 g/mol  logS: -2.29831  SlogP: 1.8529  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.051318  Sterimol/B1: 2.52581  Sterimol/B2: 3.41524  Sterimol/B3: 3.93048
  Sterimol/B4: 4.61746  Sterimol/L: 18.5377 
 
 Surface and Volume Properties
  Accessible surface: 587.267  Positive charged surface: 462.908  Negative charged surface: 124.359  Volume: 312.5
  Hydrophobic surface: 508.962  Hydrophilic surface: 78.305
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.