MMsINC Database Search


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MMsINC code: MMs02296295

Type: Neutral
Formula: C₁₈H₁₅NO₄S₂

SMILES:

S(=O)(=O)(c1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C18H15NO4S2/c20-24(21,15-9-3-1-4-10-15)18-14-8-7-13-17(18)19-25(22,23)16-11-5-2-6-12-16/h1-14,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0127 kcal/mol

Physical Properties
Molecular Weight: 373.453 g/mol	logS: -5.01127	SlogP: 3.3202	Reactive groups: 0

Topological Properties
Globularity: 0.154098	Sterimol/B1: 3.2444	Sterimol/B2: 4.07009	Sterimol/B3: 5.10598
Sterimol/B4: 7.26925	Sterimol/L: 14.6789

Surface and Volume Properties
Accessible surface: 548.257	Positive charged surface: 251.719	Negative charged surface: 296.538	Volume: 317.375
Hydrophobic surface: 443.221	Hydrophilic surface: 105.036

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.