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ENAMINE-ZINC02623455

 MMsINC code: MMs01256958
Type: Neutral
Formula: C13H25N3O2
SMILES:   O=C(NC1CCC(CC1)C)C(NC(=O)N)C(C)C
InChI:   InChI=1/C13H25N3O2/c1-8(2)11(16-13(14)18)12(17)15-10-6-4-9(3)5-7-10/h8-11H,4-7H2,1-3H3,(H,15,17)(H3,14,16,18)/t9-,10+,11-/m0/s1

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Potential Energy
Epot(MMFF94)=15.8269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.362 g/mol  logS: -2.6  SlogP: 1.3742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110521  Sterimol/B1: 2.94359  Sterimol/B2: 3.03737  Sterimol/B3: 4.3244
  Sterimol/B4: 5.66427  Sterimol/L: 14.0192 
 
 Surface and Volume Properties
  Accessible surface: 485.943  Positive charged surface: 359.716  Negative charged surface: 126.227  Volume: 264.75
  Hydrophobic surface: 298.492  Hydrophilic surface: 187.451
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.