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CHEMDIV-ZINC00219972

 MMsINC code: MMs00843133
Type: Neutral
Formula: C17H28N2O2
SMILES:   O=C1N(C(CC1)C(=O)NC1CCCCCC1)C1CCCC1
InChI:   InChI=1/C17H28N2O2/c20-16-12-11-15(19(16)14-9-5-6-10-14)17(21)18-13-7-3-1-2-4-8-13/h13-15H,1-12H2,(H,18,21)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=67.9996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.423 g/mol  logS: -3.0045  SlogP: 2.759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108865  Sterimol/B1: 3.01965  Sterimol/B2: 3.2809  Sterimol/B3: 4.74299
  Sterimol/B4: 6.33495  Sterimol/L: 14.8876 
 
 Surface and Volume Properties
  Accessible surface: 540.687  Positive charged surface: 422.749  Negative charged surface: 117.938  Volume: 302.125
  Hydrophobic surface: 500.434  Hydrophilic surface: 40.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.