MMsINC Database Search


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MMsINC code: MMs02652183

Type: Neutral
Formula: C₁₁H₇ClFNOS

SMILES:

Clc1cc(NC(=O)c2sccc2)ccc1F

InChI:

InChI=1/C11H7ClFNOS/c12-8-6-7(3-4-9(8)13)14-11(15)10-2-1-5-16-10/h1-6H,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.8441 kcal/mol

Physical Properties
Molecular Weight: 255.7 g/mol	logS: -4.19081	SlogP: 3.7929	Reactive groups: 0

Topological Properties
Globularity: 0.0161801	Sterimol/B1: 2.35097	Sterimol/B2: 2.9063	Sterimol/B3: 4.26115
Sterimol/B4: 4.44266	Sterimol/L: 13.9015

Surface and Volume Properties
Accessible surface: 434.914	Positive charged surface: 158.976	Negative charged surface: 275.938	Volume: 207.375
Hydrophobic surface: 393.919	Hydrophilic surface: 40.995

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