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ENAMINE-ZINC02653411

 MMsINC code: MMs01276978
Type: Neutral
Formula: C22H24N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC(C)(C)C)C(=O)NC1(c1ccccc1)c1ccccc1
InChI:   InChI=1/C22H24N4O4/c1-21(2,3)24-19(29)23-17(27)14-26-18(28)22(25-20(26)30,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3,(H,25,30)(H2,23,24,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.9886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.458 g/mol  logS: -4.95302  SlogP: 2.4178  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0835364  Sterimol/B1: 3.25272  Sterimol/B2: 4.87207  Sterimol/B3: 5.59894
  Sterimol/B4: 6.05889  Sterimol/L: 18.7048 
 
 Surface and Volume Properties
  Accessible surface: 679.921  Positive charged surface: 405.37  Negative charged surface: 274.551  Volume: 387
  Hydrophobic surface: 476.463  Hydrophilic surface: 203.458
 
 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.