MMsINC Database Search


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MMsINC code: MMs00234767

Type: Neutral
Formula: C₁₉H₁₈N₂O₅S

SMILES:

S(=O)(=O)(NCc1occc1)c1ccc(cc1)C(=O)Nc1cc(OC)ccc1

InChI:

InChI=1/C19H18N2O5S/c1-25-16-5-2-4-15(12-16)21-19(22)14-7-9-18(10-8-14)27(23,24)20-13-17-6-3-11-26-17/h2-12,20H,13H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.742 kcal/mol

Physical Properties
Molecular Weight: 386.428 g/mol	logS: -4.7627	SlogP: 3.2854	Reactive groups: 0

Topological Properties
Globularity: 0.0417238	Sterimol/B1: 2.88872	Sterimol/B2: 4.77742	Sterimol/B3: 4.96641
Sterimol/B4: 5.24754	Sterimol/L: 20.9328

Surface and Volume Properties
Accessible surface: 644.39	Positive charged surface: 352.473	Negative charged surface: 291.917	Volume: 342
Hydrophobic surface: 496.941	Hydrophilic surface: 147.449

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.