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CHEMBRIDGE-ZINC00640622

 MMsINC code: MMs00637446
Type: Neutral
Formula: C25H32N4O2
SMILES:   O=C(Nc1ccc(cc1)Cc1ccc(NC(=O)N2CCCCC2)cc1)N1CCCCC1
InChI:   InChI=1/C25H32N4O2/c30-24(28-15-3-1-4-16-28)26-22-11-7-20(8-12-22)19-21-9-13-23(14-10-21)27-25(31)29-17-5-2-6-18-29/h7-14H,1-6,15-19H2,(H,26,30)(H,27,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.557 g/mol  logS: -4.8842  SlogP: 5.31297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0521947  Sterimol/B1: 2.57372  Sterimol/B2: 3.52806  Sterimol/B3: 5.42199
  Sterimol/B4: 7.72517  Sterimol/L: 21.019 
 
 Surface and Volume Properties
  Accessible surface: 753.518  Positive charged surface: 552.692  Negative charged surface: 200.826  Volume: 425
  Hydrophobic surface: 684.144  Hydrophilic surface: 69.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.