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MMsINC code: MMs01014661

Type: Neutral
Formula: C₁₅H₁₁NO₂S

SMILES:

S(c1c2c([nH]c1C(O)=O)cccc2)c1ccccc1

InChI:

InChI=1/C15H11NO2S/c17-15(18)13-14(19-10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-13/h1-9,16H,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.1587 kcal/mol

Physical Properties
Molecular Weight: 269.324 g/mol	logS: -4.64236	SlogP: 4.0173	Reactive groups: 0

Topological Properties
Globularity: 0.15474	Sterimol/B1: 2.8717	Sterimol/B2: 3.8215	Sterimol/B3: 5.36396
Sterimol/B4: 7.23388	Sterimol/L: 12.8721

Surface and Volume Properties
Accessible surface: 472.462	Positive charged surface: 237.971	Negative charged surface: 231.248	Volume: 247.125
Hydrophobic surface: 362.37	Hydrophilic surface: 110.092

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	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

MMs01014662
CHEMDIV-ZINC06751626