MMsINC Database Search


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MMsINC code: MMs02940026

Type: Neutral
Formula: C₁₈H₁₄FNO₂S₂

SMILES:

S(c1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccccc1

InChI:

InChI=1/C18H14FNO2S2/c19-14-10-12-16(13-11-14)24(21,22)20-17-8-4-5-9-18(17)23-15-6-2-1-3-7-15/h1-13,20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.7829 kcal/mol

Physical Properties
Molecular Weight: 359.445 g/mol	logS: -6.18696	SlogP: 4.7777	Reactive groups: 0

Topological Properties
Globularity: 0.172638	Sterimol/B1: 3.82229	Sterimol/B2: 3.87708	Sterimol/B3: 5.16885
Sterimol/B4: 5.98634	Sterimol/L: 14.0592

Surface and Volume Properties
Accessible surface: 557.217	Positive charged surface: 262.94	Negative charged surface: 294.277	Volume: 311.5
Hydrophobic surface: 458.688	Hydrophilic surface: 98.529

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.