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ENAMINE-ZINC03505393

 MMsINC code: MMs01479393
Type: Neutral
Formula: C15H25N3O3
SMILES:   O=C1N(CC(=O)NC(CC)CC)C(=O)NC12CCCCC2
InChI:   InChI=1/C15H25N3O3/c1-3-11(4-2)16-12(19)10-18-13(20)15(17-14(18)21)8-6-5-7-9-15/h11H,3-10H2,1-2H3,(H,16,19)(H,17,21)

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Potential Energy
Epot(MMFF94)=17.7943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.383 g/mol  logS: -2.73616  SlogP: 1.5459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0898955  Sterimol/B1: 2.51174  Sterimol/B2: 3.82509  Sterimol/B3: 4.0589
  Sterimol/B4: 6.64906  Sterimol/L: 15.3287 
 
 Surface and Volume Properties
  Accessible surface: 537.864  Positive charged surface: 388.856  Negative charged surface: 149.008  Volume: 291.25
  Hydrophobic surface: 392.944  Hydrophilic surface: 144.92
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.