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OTAVA-ZINC01287027

 MMsINC code: MMs02560120
Type: Neutral
Formula: C19H23N3O3S
SMILES:   S(CC(=O)NC=1N(C2CCCCC2)C(=O)NC(=O)C=1)c1ccc(cc1)C
InChI:   InChI=1/C19H23N3O3S/c1-13-7-9-15(10-8-13)26-12-18(24)20-16-11-17(23)21-19(25)22(16)14-5-3-2-4-6-14/h7-11,14H,2-6,12H2,1H3,(H,20,24)(H,21,23,25)

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Potential Energy
Epot(MMFF94)=49.1785 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.477 g/mol  logS: -5.59519  SlogP: 2.92922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0714249  Sterimol/B1: 2.99567  Sterimol/B2: 4.7252  Sterimol/B3: 5.05009
  Sterimol/B4: 7.23693  Sterimol/L: 17.1225 
 
 Surface and Volume Properties
  Accessible surface: 631.112  Positive charged surface: 384.256  Negative charged surface: 246.856  Volume: 348.375
  Hydrophobic surface: 449.401  Hydrophilic surface: 181.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.