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CHEMDIV-ZINC05036359

 MMsINC code: MMs00982146
Type: Neutral
Formula: C24H23ClN2OS
SMILES:   Clc1ccc(cc1)Cn1c2c(scc2)cc1C(=O)NC(CCc1ccccc1)C
InChI:   InChI=1/C24H23ClN2OS/c1-17(7-8-18-5-3-2-4-6-18)26-24(28)22-15-23-21(13-14-29-23)27(22)16-19-9-11-20(25)12-10-19/h2-6,9-15,17H,7-8,16H2,1H3,(H,26,28)/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=59.5457 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.98 g/mol  logS: -6.35093  SlogP: 6.42197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1813  Sterimol/B1: 2.06256  Sterimol/B2: 5.10917  Sterimol/B3: 7.81006
  Sterimol/B4: 7.96676  Sterimol/L: 16.393 
 
 Surface and Volume Properties
  Accessible surface: 699.38  Positive charged surface: 340.831  Negative charged surface: 358.549  Volume: 409.375
  Hydrophobic surface: 648.875  Hydrophilic surface: 50.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.