MMsINC Database Search


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MMsINC code: MMs01511282

Type: Neutral
Formula: C₁₄H₉ClF₃NO₃S

SMILES:

Clc1cc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)ccc1F

InChI:

InChI=1/C14H9ClF3NO3S/c15-11-7-9(3-6-12(11)16)19-13(20)8-1-4-10(5-2-8)23(21,22)14(17)18/h1-7,14H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6468 kcal/mol

Physical Properties
Molecular Weight: 363.743 g/mol	logS: -4.6087	SlogP: 4.1476	Reactive groups: 0

Topological Properties
Globularity: 0.0387903	Sterimol/B1: 2.41308	Sterimol/B2: 3.45223	Sterimol/B3: 4.48015
Sterimol/B4: 5.07559	Sterimol/L: 16.7944

Surface and Volume Properties
Accessible surface: 535.29	Positive charged surface: 190.116	Negative charged surface: 345.173	Volume: 271
Hydrophobic surface: 364.989	Hydrophilic surface: 170.301

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.