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ENAMINE-ZINC00577390

 MMsINC code: MMs01233614
Type: Neutral
Formula: C10H15ClN2O2S
SMILES:   Clc1ccc(S(=O)(=O)NCCN(C)C)cc1
InChI:   InChI=1/C10H15ClN2O2S/c1-13(2)8-7-12-16(14,15)10-5-3-9(11)4-6-10/h3-6,12H,7-8H2,1-2H3

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Potential Energy
Epot(MMFF94)=21.3181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.761 g/mol  logS: -1.85504  SlogP: 1.1799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101606  Sterimol/B1: 3.43753  Sterimol/B2: 3.85618  Sterimol/B3: 4.50315
  Sterimol/B4: 5.26435  Sterimol/L: 13.8419 
 
 Surface and Volume Properties
  Accessible surface: 471.379  Positive charged surface: 279.836  Negative charged surface: 191.543  Volume: 234.75
  Hydrophobic surface: 384.319  Hydrophilic surface: 87.06
 
 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


MMs01233615
ENAMINE-ZINC00577390