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ENAMINE-ZINC03531979

 MMsINC code: MMs01494226
Type: Neutral
Formula: C15H23N3O4
SMILES:   O1CCN(CC1)C(=O)CN1C(=O)C(NC1=O)C1CCCCC1
InChI:   InChI=1/C15H23N3O4/c19-12(17-6-8-22-9-7-17)10-18-14(20)13(16-15(18)21)11-4-2-1-3-5-11/h11,13H,1-10H2,(H,16,21)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=37.4268 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.366 g/mol  logS: -2.56692  SlogP: 0.3459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0623579  Sterimol/B1: 3.41211  Sterimol/B2: 3.48761  Sterimol/B3: 3.68171
  Sterimol/B4: 4.74728  Sterimol/L: 16.6476 
 
 Surface and Volume Properties
  Accessible surface: 540.561  Positive charged surface: 419.31  Negative charged surface: 121.251  Volume: 290.25
  Hydrophobic surface: 407.351  Hydrophilic surface: 133.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.