MMsINC Database Search


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MMsINC code: MMs02737627

Type: Neutral
Formula: C₁₈H₁₄ClNO₄S₂

SMILES:

Clc1ccc(S(=O)(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2)cc1

InChI:

InChI=1/C18H14ClNO4S2/c19-14-9-11-16(12-10-14)25(21,22)17-7-4-8-18(13-17)26(23,24)20-15-5-2-1-3-6-15/h1-13,20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.6436 kcal/mol

Physical Properties
Molecular Weight: 407.898 g/mol	logS: -5.74556	SlogP: 3.9736	Reactive groups: 0

Topological Properties
Globularity: 0.0983316	Sterimol/B1: 3.21344	Sterimol/B2: 3.98466	Sterimol/B3: 4.39214
Sterimol/B4: 5.85067	Sterimol/L: 17.5589

Surface and Volume Properties
Accessible surface: 608.761	Positive charged surface: 247.939	Negative charged surface: 360.822	Volume: 334.625
Hydrophobic surface: 469.805	Hydrophilic surface: 138.956

Pharmacophoric Properties
Hydrogen bond donors: 1	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.