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CHEMDIV-ZINC01113427

 MMsINC code: MMs00862930
Type: Neutral
Formula: C24H25ClN2O2
SMILES:   Clc1cccc(NC(=O)Cn2cc(c3c2cccc3)C(=O)C2CCCCC2)c1C
InChI:   InChI=1/C24H25ClN2O2/c1-16-20(25)11-7-12-21(16)26-23(28)15-27-14-19(18-10-5-6-13-22(18)27)24(29)17-8-3-2-4-9-17/h5-7,10-14,17H,2-4,8-9,15H2,1H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.3162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.929 g/mol  logS: -6.61941  SlogP: 6.27122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105842  Sterimol/B1: 2.34973  Sterimol/B2: 3.00742  Sterimol/B3: 6.05135
  Sterimol/B4: 9.84963  Sterimol/L: 17.3364 
 
 Surface and Volume Properties
  Accessible surface: 688.569  Positive charged surface: 401.635  Negative charged surface: 281.177  Volume: 394.75
  Hydrophobic surface: 634.418  Hydrophilic surface: 54.151
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.