MMsINC Database Search


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MMsINC code: MMs01383801

Type: Neutral
Formula: C₁₄H₁₀ClF₂NO₃S

SMILES:

Clc1cc(ccc1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1

InChI:

InChI=1/C14H10ClF2NO3S/c15-10-3-1-2-9(8-10)13(19)18-11-4-6-12(7-5-11)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)=91.2749 kcal/mol

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

Topological Properties
Globularity: 0.030036	Sterimol/B1: 2.70567	Sterimol/B2: 3.35934	Sterimol/B3: 3.61013
Sterimol/B4: 5.95292	Sterimol/L: 16.7203

Surface and Volume Properties
Accessible surface: 523.774	Positive charged surface: 195.155	Negative charged surface: 328.619	Volume: 270
Hydrophobic surface: 352.402	Hydrophilic surface: 171.372

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.