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MMsINC code: MMs01646279

Type: Ionized
Formula: C₁₄H₁₁ClFN₂O₃S-

SMILES:

Clc1ccc(cc1S(=O)([O-])=[NH])C(=O)NCc1ccccc1F

InChI:

InChI=1/C14H12ClFN2O3S/c15-11-6-5-9(7-13(11)22(17,20)21)14(19)18-8-10-3-1-2-4-12(10)16/h1-7H,8H2,(H3,17,18,19,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.5649 kcal/mol

Physical Properties
Molecular Weight: 341.77 g/mol	logS: -4.57918	SlogP: 2.6471	Reactive groups: 0

Topological Properties
Globularity: 0.0875461	Sterimol/B1: 2.5218	Sterimol/B2: 3.72645	Sterimol/B3: 4.9855
Sterimol/B4: 5.58678	Sterimol/L: 15.693

Surface and Volume Properties
Accessible surface: 531.66	Positive charged surface: 212.762	Negative charged surface: 318.899	Volume: 276.625
Hydrophobic surface: 377.968	Hydrophilic surface: 153.692

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 3	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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Parent related molecule:

MMs01646278
ENAMINE-ZINC05937293