MMsINC Database Search


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MMsINC code: MMs01257637

Type: Neutral
Formula: C₁₅H₁₄N₂O₃S₃

SMILES:

s1c2cc(NS(=O)(=O)c3ccccc3OC)ccc2nc1SC

InChI:

InChI=1/C15H14N2O3S3/c1-20-12-5-3-4-6-14(12)23(18,19)17-10-7-8-11-13(9-10)22-15(16-11)21-2/h3-9,17H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8399 kcal/mol

Physical Properties
Molecular Weight: 366.486 g/mol	logS: -5.40535	SlogP: 3.8276	Reactive groups: 0

Topological Properties
Globularity: 0.112844	Sterimol/B1: 2.70267	Sterimol/B2: 3.49047	Sterimol/B3: 5.80901
Sterimol/B4: 5.9161	Sterimol/L: 15.6261

Surface and Volume Properties
Accessible surface: 534.781	Positive charged surface: 266.621	Negative charged surface: 268.16	Volume: 302.875
Hydrophobic surface: 394.092	Hydrophilic surface: 140.689

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.