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CHEMBLOCK-ZINC04624186

 MMsINC code: MMs00564299
Type: Neutral
Formula: C25H24N4O
SMILES:   O=C(N)c1ccc(cc1)-c1nnc(Nc2cc(ccc2)C(C)(C)C)c2c1cccc2
InChI:   InChI=1/C25H24N4O/c1-25(2,3)18-7-6-8-19(15-18)27-24-21-10-5-4-9-20(21)22(28-29-24)16-11-13-17(14-12-16)23(26)30/h4-15H,1-3H3,(H2,26,30)(H,27,29)

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Potential Energy
Epot(MMFF94)=157.399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.494 g/mol  logS: -8.5959  SlogP: 5.4368  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0371565  Sterimol/B1: 2.84709  Sterimol/B2: 3.64395  Sterimol/B3: 3.71014
  Sterimol/B4: 8.57784  Sterimol/L: 19.806 
 
 Surface and Volume Properties
  Accessible surface: 682.07  Positive charged surface: 388.196  Negative charged surface: 280.223  Volume: 393.125
  Hydrophobic surface: 480.177  Hydrophilic surface: 201.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.