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CHEMDIV-ZINC07003926

 MMsINC code: MMs01070221
Type: Neutral
Formula: C25H26N4O2
SMILES:   O(C)c1ccc(cc1NC(=O)c1c2c(nc(c1)C)n(nc2C)-c1ccc(cc1)CC)C
InChI:   InChI=1/C25H26N4O2/c1-6-18-8-10-19(11-9-18)29-24-23(17(4)28-29)20(14-16(3)26-24)25(30)27-21-13-15(2)7-12-22(21)31-5/h7-14H,6H2,1-5H3,(H,27,30)

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Potential Energy
Epot(MMFF94)=140.665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.509 g/mol  logS: -7.4746  SlogP: 5.16903  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0653711  Sterimol/B1: 3.91927  Sterimol/B2: 4.03727  Sterimol/B3: 4.84356
  Sterimol/B4: 7.00422  Sterimol/L: 20.8458 
 
 Surface and Volume Properties
  Accessible surface: 734.066  Positive charged surface: 484.885  Negative charged surface: 243.351  Volume: 414.125
  Hydrophobic surface: 670.049  Hydrophilic surface: 64.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.