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ENAMINE-ZINC04515073

 MMsINC code: MMs01544830
Type: Neutral
Formula: C15H25N3O3
SMILES:   O=C1N(CC(=O)NC(C)(C)C)C(=O)NC12CCCCC2C
InChI:   InChI=1/C15H25N3O3/c1-10-7-5-6-8-15(10)12(20)18(13(21)17-15)9-11(19)16-14(2,3)4/h10H,5-9H2,1-4H3,(H,16,19)(H,17,21)/t10-,15+/m0/s1

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Potential Energy
Epot(MMFF94)=32.8005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.383 g/mol  logS: -2.8616  SlogP: 1.4018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0800765  Sterimol/B1: 2.03094  Sterimol/B2: 3.43814  Sterimol/B3: 4.48599
  Sterimol/B4: 6.81816  Sterimol/L: 15.3679 
 
 Surface and Volume Properties
  Accessible surface: 527.174  Positive charged surface: 366.856  Negative charged surface: 160.318  Volume: 290.375
  Hydrophobic surface: 357.371  Hydrophilic surface: 169.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.