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ENAMINE-ZINC03366614

 MMsINC code: MMs01398999
Type: Neutral
Formula: C23H24N4O4
SMILES:   O(C(=O)c1cc2nc(n(c2cc1)-c1ccccc1)C)CC(=O)NC(=O)NC1CCCC1
InChI:   InChI=1/C23H24N4O4/c1-15-24-19-13-16(11-12-20(19)27(15)18-9-3-2-4-10-18)22(29)31-14-21(28)26-23(30)25-17-7-5-6-8-17/h2-4,9-13,17H,5-8,14H2,1H3,(H2,25,26,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.439 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.469 g/mol  logS: -5.25349  SlogP: 3.25912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0173349  Sterimol/B1: 2.95858  Sterimol/B2: 3.15568  Sterimol/B3: 3.90006
  Sterimol/B4: 7.54565  Sterimol/L: 22.3839 
 
 Surface and Volume Properties
  Accessible surface: 742.349  Positive charged surface: 473.627  Negative charged surface: 268.723  Volume: 396.5
  Hydrophobic surface: 576.677  Hydrophilic surface: 165.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.