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ENAMINE-ZINC03487698

 MMsINC code: MMs01469359
Type: Neutral
Formula: C14H23N3O3
SMILES:   O=C1N(CC(=O)NC2CCCC2)C(=O)NC1CC(C)C
InChI:   InChI=1/C14H23N3O3/c1-9(2)7-11-13(19)17(14(20)16-11)8-12(18)15-10-5-3-4-6-10/h9-11H,3-8H2,1-2H3,(H,15,18)(H,16,20)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=14.7441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.356 g/mol  logS: -2.7224  SlogP: 1.0117  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534633  Sterimol/B1: 2.10292  Sterimol/B2: 3.43845  Sterimol/B3: 4.4422
  Sterimol/B4: 5.01688  Sterimol/L: 17.3265 
 
 Surface and Volume Properties
  Accessible surface: 544.058  Positive charged surface: 381.316  Negative charged surface: 162.742  Volume: 279.125
  Hydrophobic surface: 363.917  Hydrophilic surface: 180.141
 
 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.