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ASINEX-ZINC00099122

 MMsINC code: MMs00074584
Type: Neutral
Formula: C14H10FNO3S
SMILES:   s1cccc1C(=O)CC1(O)c2cc(F)ccc2NC1=O
InChI:   InChI=1/C14H10FNO3S/c15-8-3-4-10-9(6-8)14(19,13(18)16-10)7-11(17)12-2-1-5-20-12/h1-6,19H,7H2,(H,16,18)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=62.6263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.302 g/mol  logS: -3.58965  SlogP: 2.6114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0762844  Sterimol/B1: 2.67623  Sterimol/B2: 4.02522  Sterimol/B3: 4.21921
  Sterimol/B4: 4.81012  Sterimol/L: 14.7557 
 
 Surface and Volume Properties
  Accessible surface: 469.103  Positive charged surface: 216.172  Negative charged surface: 252.931  Volume: 243.125
  Hydrophobic surface: 354.893  Hydrophilic surface: 114.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.