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CHEMDIV-ZINC06847151

 MMsINC code: MMs01047229
Type: Neutral
Formula: C14H23N3O3
SMILES:   O=C1N(CC(=O)N2C1CCC2)CC(=O)NCCC(C)C
InChI:   InChI=1/C14H23N3O3/c1-10(2)5-6-15-12(18)8-16-9-13(19)17-7-3-4-11(17)14(16)20/h10-11H,3-9H2,1-2H3,(H,15,18)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=84.1004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.356 g/mol  logS: -2.15691  SlogP: -0.0181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0843985  Sterimol/B1: 3.21843  Sterimol/B2: 3.82441  Sterimol/B3: 4.61251
  Sterimol/B4: 5.30444  Sterimol/L: 16.5463 
 
 Surface and Volume Properties
  Accessible surface: 537.639  Positive charged surface: 407.881  Negative charged surface: 129.758  Volume: 278
  Hydrophobic surface: 380.316  Hydrophilic surface: 157.323
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.