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CHEMDIV-ZINC06805166

 MMsINC code: MMs01032366
Type: Neutral
Formula: C23H26N4O4
SMILES:   O(CC)c1ccccc1NC(=O)CN1c2ncccc2C(=O)N(C2CCCCC2)C1=O
InChI:   InChI=1/C23H26N4O4/c1-2-31-19-13-7-6-12-18(19)25-20(28)15-26-21-17(11-8-14-24-21)22(29)27(23(26)30)16-9-4-3-5-10-16/h6-8,11-14,16H,2-5,9-10,15H2,1H3,(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.7016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.485 g/mol  logS: -4.6242  SlogP: 3.8339  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.082212  Sterimol/B1: 2.4769  Sterimol/B2: 5.76106  Sterimol/B3: 5.81572
  Sterimol/B4: 5.98674  Sterimol/L: 18.9124 
 
 Surface and Volume Properties
  Accessible surface: 722.833  Positive charged surface: 510.527  Negative charged surface: 212.305  Volume: 400.125
  Hydrophobic surface: 604.272  Hydrophilic surface: 118.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.