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CHEMBRIDGE-ZINC01215574

 MMsINC code: MMs00689311
Type: Neutral
Formula: C24H22N4O
SMILES:   O=C(N(C)C)c1ccc(cc1)-c1nnc(Nc2ccc(cc2)C)c2c1cccc2
InChI:   InChI=1/C24H22N4O/c1-16-8-14-19(15-9-16)25-23-21-7-5-4-6-20(21)22(26-27-23)17-10-12-18(13-11-17)24(29)28(2)3/h4-15H,1-3H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=176.742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.467 g/mol  logS: -6.83826  SlogP: 5.05062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0308104  Sterimol/B1: 2.22003  Sterimol/B2: 3.46246  Sterimol/B3: 3.90973
  Sterimol/B4: 10.1807  Sterimol/L: 19.7172 
 
 Surface and Volume Properties
  Accessible surface: 672.083  Positive charged surface: 414.921  Negative charged surface: 244.906  Volume: 376.875
  Hydrophobic surface: 591.368  Hydrophilic surface: 80.715
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.