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CHEMDIV-ZINC02774289

 MMsINC code: MMs00887908
Type: Neutral
Formula: C24H24N4O2
SMILES:   O(CC)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)NCCCn1ccnc1
InChI:   InChI=1/C24H24N4O2/c1-2-30-19-10-8-18(9-11-19)23-16-21(20-6-3-4-7-22(20)27-23)24(29)26-12-5-14-28-15-13-25-17-28/h3-4,6-11,13,15-17H,2,5,12,14H2,1H3,(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.3545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.482 g/mol  logS: -5.38666  SlogP: 4.5835  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0225092  Sterimol/B1: 2.47196  Sterimol/B2: 3.4633  Sterimol/B3: 3.73224
  Sterimol/B4: 13.9559  Sterimol/L: 16.4462 
 
 Surface and Volume Properties
  Accessible surface: 728.981  Positive charged surface: 478.333  Negative charged surface: 239.577  Volume: 396
  Hydrophobic surface: 604.341  Hydrophilic surface: 124.64
 
 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.