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CHEMDIV-ZINC04901223

 MMsINC code: MMs00962141
Type: Neutral
Formula: C24H24N4O2
SMILES:   O(C)c1ccc(cc1)CNC(=O)CCc1nc2cccnc2n1Cc1ccccc1
InChI:   InChI=1/C24H24N4O2/c1-30-20-11-9-18(10-12-20)16-26-23(29)14-13-22-27-21-8-5-15-25-24(21)28(22)17-19-6-3-2-4-7-19/h2-12,15H,13-14,16-17H2,1H3,(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.5099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.482 g/mol  logS: -5.18503  SlogP: 4.26997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0522853  Sterimol/B1: 3.09627  Sterimol/B2: 4.72806  Sterimol/B3: 5.16983
  Sterimol/B4: 6.98743  Sterimol/L: 20.1203 
 
 Surface and Volume Properties
  Accessible surface: 716.276  Positive charged surface: 481.269  Negative charged surface: 235.008  Volume: 398
  Hydrophobic surface: 620.142  Hydrophilic surface: 96.134
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.