MMsINC Database Search


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MMsINC code: MMs03807744

Type: Neutral
Formula: C₁₅H₉ClF₃NO₂S

SMILES:

Clc1cc2c(NC(OC2(Sc2ccccc2)C(F)(F)F)=O)cc1

InChI:

InChI=1/C15H9ClF3NO2S/c16-9-6-7-12-11(8-9)14(15(17,18)19,22-13(21)20-12)23-10-4-2-1-3-5-10/h1-8H,(H,20,21)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.879 kcal/mol

Physical Properties
Molecular Weight: 359.755 g/mol	logS: -6.47517	SlogP: 6.1409	Reactive groups: 0

Topological Properties
Globularity: 0.111809	Sterimol/B1: 3.86205	Sterimol/B2: 4.13472	Sterimol/B3: 4.77744
Sterimol/B4: 4.87751	Sterimol/L: 14.4653

Surface and Volume Properties
Accessible surface: 500.276	Positive charged surface: 184.585	Negative charged surface: 315.691	Volume: 272.125
Hydrophobic surface: 332.523	Hydrophilic surface: 167.753

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.