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CHEMDIV-ZINC03005884

 MMsINC code: MMs00900733
Type: Neutral
Formula: C18H16Cl2N2O2S
SMILES:   Clc1cc(NC(=O)N(C(C)c2sccc2)Cc2occc2)ccc1Cl
InChI:   InChI=1/C18H16Cl2N2O2S/c1-12(17-5-3-9-25-17)22(11-14-4-2-8-24-14)18(23)21-13-6-7-15(19)16(20)10-13/h2-10,12H,11H2,1H3,(H,21,23)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=60.3298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.31 g/mol  logS: -6.21203  SlogP: 6.8051  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.249078  Sterimol/B1: 2.50001  Sterimol/B2: 3.80419  Sterimol/B3: 6.81214
  Sterimol/B4: 7.02664  Sterimol/L: 14.9496 
 
 Surface and Volume Properties
  Accessible surface: 587.133  Positive charged surface: 267.584  Negative charged surface: 319.548  Volume: 342.625
  Hydrophobic surface: 532.88  Hydrophilic surface: 54.253
 
 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.