MMsINC Database Search


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MMsINC code: MMs01687787

Type: Neutral
Formula: C₁₄H₁₃ClFNO₂S

SMILES:

Clc1cc(S(=O)(=O)N(Cc2ccc(F)cc2)C)ccc1

InChI:

InChI=1/C14H13ClFNO2S/c1-17(10-11-5-7-13(16)8-6-11)20(18,19)14-4-2-3-12(15)9-14/h2-9H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.7384 kcal/mol

Physical Properties
Molecular Weight: 313.78 g/mol	logS: -4.09561	SlogP: 3.5662	Reactive groups: 0

Topological Properties
Globularity: 0.0774835	Sterimol/B1: 1.969	Sterimol/B2: 3.4179	Sterimol/B3: 4.07972
Sterimol/B4: 6.1583	Sterimol/L: 15.5593

Surface and Volume Properties
Accessible surface: 502.993	Positive charged surface: 234.335	Negative charged surface: 268.658	Volume: 266.125
Hydrophobic surface: 451.683	Hydrophilic surface: 51.31

Pharmacophoric Properties
Hydrogen bond donors: 0	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.