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ENAMINE-ZINC03575799

 MMsINC code: MMs01515746
Type: Neutral
Formula: C15H16N2O3S
SMILES:   S1(=O)(=O)N(c2c3c(ccc2)cccc13)CC(=O)NCCC
InChI:   InChI=1/C15H16N2O3S/c1-2-9-16-14(18)10-17-12-7-3-5-11-6-4-8-13(15(11)12)21(17,19)20/h3-8H,2,9-10H2,1H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=66.5533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.37 g/mol  logS: -4.05623  SlogP: 1.8747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0652867  Sterimol/B1: 2.18531  Sterimol/B2: 4.67656  Sterimol/B3: 4.86987
  Sterimol/B4: 4.91993  Sterimol/L: 16.4475 
 
 Surface and Volume Properties
  Accessible surface: 524.302  Positive charged surface: 299.812  Negative charged surface: 213.405  Volume: 272.125
  Hydrophobic surface: 392.195  Hydrophilic surface: 132.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.