MMsINC Database Search


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MMsINC code: MMs01589473

Type: Neutral
Formula: C₁₄H₁₃ClFNO₂S

SMILES:

Clc1ccccc1S(=O)(=O)NC(C)c1ccc(F)cc1

InChI:

InChI=1/C14H13ClFNO2S/c1-10(11-6-8-12(16)9-7-11)17-20(18,19)14-5-3-2-4-13(14)15/h2-10,17H,1H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.0334 kcal/mol

Physical Properties
Molecular Weight: 313.78 g/mol	logS: -4.34724	SlogP: 3.6141	Reactive groups: 0

Topological Properties
Globularity: 0.109936	Sterimol/B1: 2.16701	Sterimol/B2: 3.72412	Sterimol/B3: 4.86995
Sterimol/B4: 5.82099	Sterimol/L: 14.8051

Surface and Volume Properties
Accessible surface: 490.059	Positive charged surface: 207.161	Negative charged surface: 282.898	Volume: 264.125
Hydrophobic surface: 409.023	Hydrophilic surface: 81.036

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.