MMsINC Database Search


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MMsINC code: MMs02336966

Type: Neutral
Formula: C₁₅H₁₄N₂O₃S

SMILES:

S(=O)(=O)(Nc1cc2oc(nc2cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C15H14N2O3S/c1-10-3-6-13(7-4-10)21(18,19)17-12-5-8-14-15(9-12)20-11(2)16-14/h3-9,17H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.779 kcal/mol

Physical Properties
Molecular Weight: 302.354 g/mol	logS: -4.14294	SlogP: 3.24544	Reactive groups: 0

Topological Properties
Globularity: 0.131349	Sterimol/B1: 2.15962	Sterimol/B2: 3.857	Sterimol/B3: 3.88272
Sterimol/B4: 8.1541	Sterimol/L: 14.1391

Surface and Volume Properties
Accessible surface: 522.158	Positive charged surface: 288.24	Negative charged surface: 233.918	Volume: 269.25
Hydrophobic surface: 391.1	Hydrophilic surface: 131.058

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.