MMsINC Database Search


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MMsINC code: MMs02724487

Type: Neutral
Formula: C₁₈H₁₄ClFN₂O₄S₂

SMILES:

Clc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1

InChI:

InChI=1/C18H14ClFN2O4S2/c19-13-1-9-17(10-2-13)27(23,24)22-16-7-11-18(12-8-16)28(25,26)21-15-5-3-14(20)4-6-15/h1-12,21-22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2049 kcal/mol

Physical Properties
Molecular Weight: 440.903 g/mol	logS: -5.73783	SlogP: 4.0807	Reactive groups: 0

Topological Properties
Globularity: 0.135824	Sterimol/B1: 3.41695	Sterimol/B2: 4.51558	Sterimol/B3: 5.32002
Sterimol/B4: 5.49287	Sterimol/L: 15.8038

Surface and Volume Properties
Accessible surface: 623.899	Positive charged surface: 262.531	Negative charged surface: 361.368	Volume: 349.25
Hydrophobic surface: 461.467	Hydrophilic surface: 162.432

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.