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ENAMINE-ZINC03398208

 MMsINC code: MMs01418376
Type: Tautomer
Formula: C15H24N4O3
SMILES:   O=C1N(CN2CCC(CC2)C(=O)N)C(=O)NC12CCCCC2
InChI:   InChI=1/C15H24N4O3/c16-12(20)11-4-8-18(9-5-11)10-19-13(21)15(17-14(19)22)6-2-1-3-7-15/h11H,1-10H2,(H2,16,20)(H,17,22)

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Potential Energy
Epot(MMFF94)=-0.545639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.382 g/mol  logS: -1.69644  SlogP: 0.3959  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0899743  Sterimol/B1: 3.06033  Sterimol/B2: 3.20692  Sterimol/B3: 4.79561
  Sterimol/B4: 5.28478  Sterimol/L: 15.4041 
 
 Surface and Volume Properties
  Accessible surface: 528.527  Positive charged surface: 391.726  Negative charged surface: 136.801  Volume: 290.25
  Hydrophobic surface: 346.09  Hydrophilic surface: 182.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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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Parent related molecule:


MMs01418375
ENAMINE-ZINC03398208