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ENAMINE-ZINC03455221

 MMsINC code: MMs01453570
Type: Neutral
Formula: C15H25N4O3+
SMILES:   O=C1N(C[NH+]2CCN(CC2)C(=O)C)C(=O)NC12CCCCC2
InChI:   InChI=1/C15H24N4O3/c1-12(20)18-9-7-17(8-10-18)11-19-13(21)15(16-14(19)22)5-3-2-4-6-15/h2-11H2,1H3,(H,16,22)/p+1

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Potential Energy
Epot(MMFF94)=0.787209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.39 g/mol  logS: -1.30741  SlogP: -1.0544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.089803  Sterimol/B1: 2.5141  Sterimol/B2: 4.05701  Sterimol/B3: 4.18312
  Sterimol/B4: 6.26217  Sterimol/L: 15.9483 
 
 Surface and Volume Properties
  Accessible surface: 542.714  Positive charged surface: 411.843  Negative charged surface: 130.871  Volume: 300.25
  Hydrophobic surface: 405.745  Hydrophilic surface: 136.969
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  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


MMs01453571
ENAMINE-ZINC03455221