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CHEMDIV-ZINC01509340

 MMsINC code: MMs00866950
Type: Neutral
Formula: C24H21ClN2O2
SMILES:   Clc1cc2c(NC(=O)CN(C(=O)c3cc(cc(c3)C)C)C2c2ccccc2)cc1
InChI:   InChI=1/C24H21ClN2O2/c1-15-10-16(2)12-18(11-15)24(29)27-14-22(28)26-21-9-8-19(25)13-20(21)23(27)17-6-4-3-5-7-17/h3-13,23H,14H2,1-2H3,(H,26,28)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=157.197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.897 g/mol  logS: -6.99388  SlogP: 5.23624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.308471  Sterimol/B1: 3.80061  Sterimol/B2: 4.09197  Sterimol/B3: 6.29036
  Sterimol/B4: 7.56156  Sterimol/L: 13.8321 
 
 Surface and Volume Properties
  Accessible surface: 616.002  Positive charged surface: 306.316  Negative charged surface: 309.686  Volume: 379
  Hydrophobic surface: 518.384  Hydrophilic surface: 97.618
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.