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ENAMINE-ZINC03563801

 MMsINC code: MMs01510310
Type: Neutral
Formula: C15H25N3O3
SMILES:   O=C1N(CC(=O)NCC(C)C)C(=O)NC12CCCCC2C
InChI:   InChI=1/C15H25N3O3/c1-10(2)8-16-12(19)9-18-13(20)15(17-14(18)21)7-5-4-6-11(15)3/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,21)/t11-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=23.4656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.383 g/mol  logS: -2.61072  SlogP: 1.2593  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0690288  Sterimol/B1: 2.18282  Sterimol/B2: 2.70855  Sterimol/B3: 4.44323
  Sterimol/B4: 6.70794  Sterimol/L: 15.6902 
 
 Surface and Volume Properties
  Accessible surface: 539.585  Positive charged surface: 388.954  Negative charged surface: 150.632  Volume: 292.5
  Hydrophobic surface: 368.286  Hydrophilic surface: 171.299
 
 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.