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CHEMDIV-ZINC03048993

 MMsINC code: MMs00908248
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C1N(C(C)C)C(CC1)C(=O)NC1CCCCC1C
InChI:   InChI=1/C15H26N2O2/c1-10(2)17-13(8-9-14(17)18)15(19)16-12-7-5-4-6-11(12)3/h10-13H,4-9H2,1-3H3,(H,16,19)/t11-,12+,13-/m0/s1

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Potential Energy
Epot(MMFF94)=45.2278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -2.38955  SlogP: 2.0807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16252  Sterimol/B1: 2.10311  Sterimol/B2: 2.42061  Sterimol/B3: 5.3096
  Sterimol/B4: 6.95481  Sterimol/L: 13.107 
 
 Surface and Volume Properties
  Accessible surface: 501.537  Positive charged surface: 370.009  Negative charged surface: 131.528  Volume: 279.625
  Hydrophobic surface: 404.632  Hydrophilic surface: 96.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.