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ENAMINE-ZINC06047205

 MMsINC code: MMs01650496
Type: Neutral
Formula: C15H25N3O4
SMILES:   O=C1N(CC(=O)NC(COC)C)C(=O)NC12CCC(CC2)C
InChI:   InChI=1/C15H25N3O4/c1-10-4-6-15(7-5-10)13(20)18(14(21)17-15)8-12(19)16-11(2)9-22-3/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,21)/t10-,11-,15+/m0/s1

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Potential Energy
Epot(MMFF94)=27.8689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.382 g/mol  logS: -2.66327  SlogP: 0.6382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0519689  Sterimol/B1: 3.32823  Sterimol/B2: 3.36177  Sterimol/B3: 4.50512
  Sterimol/B4: 4.63126  Sterimol/L: 18.4143 
 
 Surface and Volume Properties
  Accessible surface: 573.78  Positive charged surface: 435.793  Negative charged surface: 137.986  Volume: 303
  Hydrophobic surface: 412.25  Hydrophilic surface: 161.53
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.