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CHEMDIV-ZINC06804714

 MMsINC code: MMs01031903
Type: Neutral
Formula: C18H19ClN2OS
SMILES:   Clc1sc2cc(n(c2c1)CC)C(=O)NCCCc1ccccc1
InChI:   InChI=1/C18H19ClN2OS/c1-2-21-14-12-17(19)23-16(14)11-15(21)18(22)20-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=29.4558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.882 g/mol  logS: -4.89429  SlogP: 5.00507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0404516  Sterimol/B1: 2.49364  Sterimol/B2: 2.98138  Sterimol/B3: 4.35331
  Sterimol/B4: 7.89656  Sterimol/L: 19.4015 
 
 Surface and Volume Properties
  Accessible surface: 626.141  Positive charged surface: 325.555  Negative charged surface: 300.585  Volume: 327.125
  Hydrophobic surface: 564.663  Hydrophilic surface: 61.478
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.