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CHEMDIV-ZINC06878156

 MMsINC code: MMs01053716
Type: Neutral
Formula: C24H23N3O3
SMILES:   O1c2c(N(CCCC(=O)NCc3cc(ccc3)C)C(=O)c3cccnc13)cccc2
InChI:   InChI=1/C24H23N3O3/c1-17-7-4-8-18(15-17)16-26-22(28)12-6-14-27-20-10-2-3-11-21(20)30-23-19(24(27)29)9-5-13-25-23/h2-5,7-11,13,15H,6,12,14,16H2,1H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.466 g/mol  logS: -4.93729  SlogP: 4.50552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0405436  Sterimol/B1: 3.23468  Sterimol/B2: 3.30049  Sterimol/B3: 3.88693
  Sterimol/B4: 7.9401  Sterimol/L: 20.1716 
 
 Surface and Volume Properties
  Accessible surface: 712.44  Positive charged surface: 447.149  Negative charged surface: 265.291  Volume: 389.75
  Hydrophobic surface: 609.786  Hydrophilic surface: 102.654
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.