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CHEMBRIDGE-ZINC04496640

 MMsINC code: MMs00770338
Type: Neutral
Formula: C18H20N2O2S2
SMILES:   s1c2CC(CCc2c(C(=O)N)c1NC(=O)CSc1ccccc1)C
InChI:   InChI=1/C18H20N2O2S2/c1-11-7-8-13-14(9-11)24-18(16(13)17(19)22)20-15(21)10-23-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,19,22)(H,20,21)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=75.6194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.502 g/mol  logS: -6.22387  SlogP: 3.70254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.015065  Sterimol/B1: 2.57161  Sterimol/B2: 2.9642  Sterimol/B3: 3.17738
  Sterimol/B4: 7.40215  Sterimol/L: 19.8163 
 
 Surface and Volume Properties
  Accessible surface: 623.972  Positive charged surface: 378.965  Negative charged surface: 245.008  Volume: 332.625
  Hydrophobic surface: 435.693  Hydrophilic surface: 188.279
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.