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ENAMINE-ZINC03531907

 MMsINC code: MMs01494174
Type: Neutral
Formula: C15H25N3O3
SMILES:   O=C1N(CC(=O)NC(C(C)C)C)C(=O)NC12CCCCC2
InChI:   InChI=1/C15H25N3O3/c1-10(2)11(3)16-12(19)9-18-13(20)15(17-14(18)21)7-5-4-6-8-15/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,21)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=25.1281 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.383 g/mol  logS: -2.73616  SlogP: 1.4018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0624623  Sterimol/B1: 2.88831  Sterimol/B2: 3.07532  Sterimol/B3: 4.84197
  Sterimol/B4: 5.08331  Sterimol/L: 16.4774 
 
 Surface and Volume Properties
  Accessible surface: 539.402  Positive charged surface: 376.195  Negative charged surface: 163.206  Volume: 290.25
  Hydrophobic surface: 366.772  Hydrophilic surface: 172.63
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.