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AURORAFEINCHEMIE-ZINC03838982

 MMsINC code: MMs00456630
Type: Neutral
Formula: C14H24N4O3
SMILES:   O=C1N2C(C(NC(=O)NC(C)C)CC2)C(=O)NC1C(C)C
InChI:   InChI=1/C14H24N4O3/c1-7(2)10-13(20)18-6-5-9(11(18)12(19)17-10)16-14(21)15-8(3)4/h7-11H,5-6H2,1-4H3,(H,17,19)(H2,15,16,21)/t9-,10+,11-/m0/s1

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Potential Energy
Epot(MMFF94)=56.0647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.371 g/mol  logS: -1.7281  SlogP: -0.1821  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0764872  Sterimol/B1: 2.22378  Sterimol/B2: 3.96492  Sterimol/B3: 4.00404
  Sterimol/B4: 6.80687  Sterimol/L: 15.7433 
 
 Surface and Volume Properties
  Accessible surface: 546.742  Positive charged surface: 385.395  Negative charged surface: 161.346  Volume: 288.125
  Hydrophobic surface: 323.256  Hydrophilic surface: 223.486
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.