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ENAMINE-ZINC03527643

 MMsINC code: MMs01492184
Type: Neutral
Formula: C18H28N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC2CCCCC2)C(=O)NC12CCC(CC2)C
InChI:   InChI=1/C18H28N4O4/c1-12-7-9-18(10-8-12)15(24)22(17(26)21-18)11-14(23)20-16(25)19-13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H,21,26)(H2,19,20,23,25)/t12-,18+

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Potential Energy
Epot(MMFF94)=7.2946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.446 g/mol  logS: -3.89309  SlogP: 1.6456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0374782  Sterimol/B1: 2.56991  Sterimol/B2: 3.57983  Sterimol/B3: 4.3718
  Sterimol/B4: 5.83822  Sterimol/L: 20.2051 
 
 Surface and Volume Properties
  Accessible surface: 634.193  Positive charged surface: 461.468  Negative charged surface: 172.725  Volume: 346
  Hydrophobic surface: 436.527  Hydrophilic surface: 197.666
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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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Ions/Tautomers related molecules: no related molecules available.