MMsINC Database Search


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MMsINC code: MMs02365355

Type: Neutral
Formula: C₁₄H₁₃NO₂S

SMILES:

S(C)c1ccccc1C(=O)Nc1ccccc1O

InChI:

InChI=1/C14H13NO2S/c1-18-13-9-5-2-6-10(13)14(17)15-11-7-3-4-8-12(11)16/h2-9,16H,1H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0282 kcal/mol

Physical Properties
Molecular Weight: 259.329 g/mol	logS: -4.01432	SlogP: 3.3664	Reactive groups: 0

Topological Properties
Globularity: 0.0288541	Sterimol/B1: 2.50051	Sterimol/B2: 2.56362	Sterimol/B3: 3.19505
Sterimol/B4: 7.57496	Sterimol/L: 13.7032

Surface and Volume Properties
Accessible surface: 478.337	Positive charged surface: 266.829	Negative charged surface: 211.508	Volume: 244
Hydrophobic surface: 376.877	Hydrophilic surface: 101.46

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.