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ENAMINE-ZINC03532934

 MMsINC code: MMs01494682
Type: Neutral
Formula: C18H28N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC2CCCCC2)C(=O)NC1C1CCCCC1
InChI:   InChI=1/C18H28N4O4/c23-14(20-17(25)19-13-9-5-2-6-10-13)11-22-16(24)15(21-18(22)26)12-7-3-1-4-8-12/h12-13,15H,1-11H2,(H,21,26)(H2,19,20,23,25)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=2.2711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.446 g/mol  logS: -4.0811  SlogP: 1.6456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0319849  Sterimol/B1: 2.88132  Sterimol/B2: 3.44652  Sterimol/B3: 4.46905
  Sterimol/B4: 5.17569  Sterimol/L: 20.7354 
 
 Surface and Volume Properties
  Accessible surface: 637.649  Positive charged surface: 476.133  Negative charged surface: 161.516  Volume: 344.25
  Hydrophobic surface: 450.394  Hydrophilic surface: 187.255
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.