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CHEMBRIDGE-ZINC00974783

 MMsINC code: MMs00649182
Type: Neutral
Formula: C24H22N4O4
SMILES:   O=C(Nc1ccc(NC(=O)C)cc1)c1ccc(cc1)C(=O)Nc1ccc(NC(=O)C)cc1
InChI:   InChI=1/C24H22N4O4/c1-15(29)25-19-7-11-21(12-8-19)27-23(31)17-3-5-18(6-4-17)24(32)28-22-13-9-20(10-14-22)26-16(2)30/h3-14H,1-2H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=138.317 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.464 g/mol  logS: -5.74376  SlogP: 4.108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0116491  Sterimol/B1: 2.91216  Sterimol/B2: 3.50096  Sterimol/B3: 3.60304
  Sterimol/B4: 4.74272  Sterimol/L: 26.6458 
 
 Surface and Volume Properties
  Accessible surface: 741.899  Positive charged surface: 426.947  Negative charged surface: 314.952  Volume: 403.125
  Hydrophobic surface: 561.061  Hydrophilic surface: 180.838
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.