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ENAMINE-ZINC05925750

 MMsINC code: MMs01645235
Type: Neutral
Formula: C17H20N2O3S2
SMILES:   S1\C(=C/c2ccc(OC)cc2)\C(=O)N(CC(=O)N(CC)CC)C1=S
InChI:   InChI=1/C17H20N2O3S2/c1-4-18(5-2)15(20)11-19-16(21)14(24-17(19)23)10-12-6-8-13(22-3)9-7-12/h6-10H,4-5,11H2,1-3H3/b14-10+

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Potential Energy
Epot(MMFF94)=71.2384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.49 g/mol  logS: -5.00933  SlogP: 2.7648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0797247  Sterimol/B1: 2.49544  Sterimol/B2: 4.92037  Sterimol/B3: 5.73667
  Sterimol/B4: 6.02592  Sterimol/L: 14.9749 
 
 Surface and Volume Properties
  Accessible surface: 604.663  Positive charged surface: 355.99  Negative charged surface: 248.673  Volume: 337.25
  Hydrophobic surface: 402.546  Hydrophilic surface: 202.117
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.