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NCID-ZINC01618710

 MMsINC code: MMs02267397
Type: Neutral
Formula: C14H21ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N(CCCC)C(=O)NCCC)cc1
InChI:   InChI=1/C14H21ClN2O3S/c1-3-5-11-17(14(18)16-10-4-2)21(19,20)13-8-6-12(15)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=-10.6865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.852 g/mol  logS: -3.85276  SlogP: 3.2504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20307  Sterimol/B1: 2.57183  Sterimol/B2: 3.71311  Sterimol/B3: 5.90644
  Sterimol/B4: 9.07651  Sterimol/L: 14.6111 
 
 Surface and Volume Properties
  Accessible surface: 569.833  Positive charged surface: 323.04  Negative charged surface: 246.793  Volume: 302.25
  Hydrophobic surface: 441.964  Hydrophilic surface: 127.869
 
 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.