MMsINC Database Search


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MMsINC code: MMs00166108

Type: Neutral
Formula: C₂₀H₁₈N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCc2c1cccc2)c1ccc(NS(=O)(=O)c2ccccc2)cc1

InChI:

InChI=1/C20H18N2O4S2/c23-27(24,18-7-2-1-3-8-18)21-17-10-12-19(13-11-17)28(25,26)22-15-14-16-6-4-5-9-20(16)22/h1-13,21H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.9999 kcal/mol

Physical Properties
Molecular Weight: 414.506 g/mol	logS: -4.96801	SlogP: 3.23877	Reactive groups: 0

Topological Properties
Globularity: 0.102309	Sterimol/B1: 3.31937	Sterimol/B2: 3.36543	Sterimol/B3: 5.4116
Sterimol/B4: 6.61267	Sterimol/L: 15.9336

Surface and Volume Properties
Accessible surface: 622.711	Positive charged surface: 328.806	Negative charged surface: 293.905	Volume: 358.375
Hydrophobic surface: 485.395	Hydrophilic surface: 137.316

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.