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CHEMDIV-ZINC04911283

 MMsINC code: MMs00964755
Type: Neutral
Formula: C25H30N4O2
SMILES:   O1CCN(CC1)CCCNC(=O)c1cc(nc2c1cccc2)Nc1cc(cc(c1)C)C
InChI:   InChI=1/C25H30N4O2/c1-18-14-19(2)16-20(15-18)27-24-17-22(21-6-3-4-7-23(21)28-24)25(30)26-8-5-9-29-10-12-31-13-11-29/h3-4,6-7,14-17H,5,8-13H2,1-2H3,(H,26,30)(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.541 g/mol  logS: -5.39011  SlogP: 4.04734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0308403  Sterimol/B1: 2.27572  Sterimol/B2: 5.356  Sterimol/B3: 6.34678
  Sterimol/B4: 7.79523  Sterimol/L: 20.5388 
 
 Surface and Volume Properties
  Accessible surface: 754.489  Positive charged surface: 533.209  Negative charged surface: 216.695  Volume: 422.75
  Hydrophobic surface: 669.111  Hydrophilic surface: 85.378
 
 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


MMs00964756
CHEMDIV-ZINC04911283