MMsINC Database Search


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MMsINC code: MMs01502534

Type: Neutral
Formula: C₁₄H₁₀ClF₂NO₃S

SMILES:

Clc1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1

InChI:

InChI=1/C14H10ClF2NO3S/c15-10-3-5-11(6-4-10)18-13(19)9-1-7-12(8-2-9)22(20,21)14(16)17/h1-8,14H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.7305 kcal/mol

Physical Properties
Molecular Weight: 345.753 g/mol	logS: -4.31372	SlogP: 4.0085	Reactive groups: 0

Topological Properties
Globularity: 0.0329325	Sterimol/B1: 2.41883	Sterimol/B2: 3.37291	Sterimol/B3: 3.54578
Sterimol/B4: 5.36322	Sterimol/L: 17.7257

Surface and Volume Properties
Accessible surface: 521.342	Positive charged surface: 194.076	Negative charged surface: 327.266	Volume: 269.375
Hydrophobic surface: 353.664	Hydrophilic surface: 167.678

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.