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CHEMDIV-ZINC06720309

 MMsINC code: MMs00999597
Type: Neutral
Formula: C24H23N3O2
SMILES:   O(CCCC)c1cc(ccc1)C(=O)Nc1cc(ccc1)-c1[nH]c2c(n1)cccc2
InChI:   InChI=1/C24H23N3O2/c1-2-3-14-29-20-11-7-9-18(16-20)24(28)25-19-10-6-8-17(15-19)23-26-21-12-4-5-13-22(21)27-23/h4-13,15-16H,2-3,14H2,1H3,(H,25,28)(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.5259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.467 g/mol  logS: -7.55481  SlogP: 5.6611  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.013067  Sterimol/B1: 2.56637  Sterimol/B2: 3.63152  Sterimol/B3: 4.10283
  Sterimol/B4: 8.85203  Sterimol/L: 21.3894 
 
 Surface and Volume Properties
  Accessible surface: 705.368  Positive charged surface: 433.085  Negative charged surface: 272.283  Volume: 384.25
  Hydrophobic surface: 604.785  Hydrophilic surface: 100.583
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.