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ENAMINE-ZINC03531996

 MMsINC code: MMs01494237
Type: Neutral
Formula: C15H23N3O3
SMILES:   O=C1N(CC(=O)N2CCCC2)C(=O)NC1C1CCCCC1
InChI:   InChI=1/C15H23N3O3/c19-12(17-8-4-5-9-17)10-18-14(20)13(16-15(18)21)11-6-2-1-3-7-11/h11,13H,1-10H2,(H,16,21)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=17.5841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.367 g/mol  logS: -2.82782  SlogP: 1.1095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0751804  Sterimol/B1: 2.71077  Sterimol/B2: 3.60823  Sterimol/B3: 3.7714
  Sterimol/B4: 6.13787  Sterimol/L: 15.4647 
 
 Surface and Volume Properties
  Accessible surface: 526.275  Positive charged surface: 398.082  Negative charged surface: 128.193  Volume: 282.875
  Hydrophobic surface: 402.33  Hydrophilic surface: 123.945
 
 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.