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CHEMBRIDGE-ZINC02812095

 MMsINC code: MMs00717330
Type: Neutral
Formula: C16H30N2O2
SMILES:   O=C(NC1CCC(CC1)C(CC)(C)C)C(=O)NCCC
InChI:   InChI=1/C16H30N2O2/c1-5-11-17-14(19)15(20)18-13-9-7-12(8-10-13)16(3,4)6-2/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,20)/t12-,13+

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Potential Energy
Epot(MMFF94)=66.2165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.428 g/mol  logS: -4.5119  SlogP: 2.6238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0755066  Sterimol/B1: 3.16775  Sterimol/B2: 3.4787  Sterimol/B3: 3.89207
  Sterimol/B4: 6.27561  Sterimol/L: 17.0205 
 
 Surface and Volume Properties
  Accessible surface: 559.872  Positive charged surface: 405.309  Negative charged surface: 154.562  Volume: 302.875
  Hydrophobic surface: 402.558  Hydrophilic surface: 157.314
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.