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CHEMDIV-ZINC06795728

 MMsINC code: MMs01025185
Type: Neutral
Formula: C24H26N4O3
SMILES:   O(CC)c1ccccc1CNC(=O)C(N1N2C(=NC(=O)C=C2C)c2c1cccc2)CC
InChI:   InChI=1/C24H26N4O3/c1-4-19(24(30)25-15-17-10-6-9-13-21(17)31-5-2)28-20-12-8-7-11-18(20)23-26-22(29)14-16(3)27(23)28/h6-14,19H,4-5,15H2,1-3H3,(H,25,30)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.497 g/mol  logS: -5.43294  SlogP: 3.6743  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110405  Sterimol/B1: 2.26685  Sterimol/B2: 5.0339  Sterimol/B3: 6.41959
  Sterimol/B4: 6.75887  Sterimol/L: 16.3573 
 
 Surface and Volume Properties
  Accessible surface: 684.87  Positive charged surface: 407.692  Negative charged surface: 277.178  Volume: 406.25
  Hydrophobic surface: 535.047  Hydrophilic surface: 149.823
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.