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AURORAFEINCHEMIE-ZINC03838548

 MMsINC code: MMs00456623
Type: Neutral
Formula: C17H30N4O4
SMILES:   O(CC(=O)N1CC(NCC1)C(=O)NC(CC1CCCCC1)C(=O)N)C
InChI:   InChI=1/C17H30N4O4/c1-25-11-15(22)21-8-7-19-14(10-21)17(24)20-13(16(18)23)9-12-5-3-2-4-6-12/h12-14,19H,2-11H2,1H3,(H2,18,23)(H,20,24)/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=98.9802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.451 g/mol  logS: -3.16971  SlogP: -0.6263  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118035  Sterimol/B1: 2.4931  Sterimol/B2: 3.43046  Sterimol/B3: 6.73956
  Sterimol/B4: 7.61774  Sterimol/L: 17.4945 
 
 Surface and Volume Properties
  Accessible surface: 641.012  Positive charged surface: 508.016  Negative charged surface: 132.996  Volume: 347.5
  Hydrophobic surface: 452.596  Hydrophilic surface: 188.416
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.