MMsINC Database Search


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MMsINC code: MMs01235820

Type: Neutral
Formula: C₁₄H₁₃ClFNO₂S

SMILES:

Clc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1

InChI:

InChI=1/C14H13ClFNO2S/c15-12-3-7-14(8-4-12)20(18,19)17-10-9-11-1-5-13(16)6-2-11/h1-8,17H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.0069 kcal/mol

Physical Properties
Molecular Weight: 313.78 g/mol	logS: -4.0815	SlogP: 3.00007	Reactive groups: 0

Topological Properties
Globularity: 0.112358	Sterimol/B1: 3.11419	Sterimol/B2: 4.19714	Sterimol/B3: 4.20745
Sterimol/B4: 6.09768	Sterimol/L: 14.2964

Surface and Volume Properties
Accessible surface: 517.82	Positive charged surface: 222.863	Negative charged surface: 294.957	Volume: 266.125
Hydrophobic surface: 435.426	Hydrophilic surface: 82.394

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