MMsINC Database Search


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MMsINC code: MMs02313719

Type: Neutral
Formula: C₁₅H₁₃NO₂S

SMILES:

S(C(=O)CNC(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H13NO2S/c17-14(19-13-9-5-2-6-10-13)11-16-15(18)12-7-3-1-4-8-12/h1-10H,11H2,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.7006 kcal/mol

Physical Properties
Molecular Weight: 271.34 g/mol	logS: -4.73406	SlogP: 2.7353	Reactive groups: 0

Topological Properties
Globularity: 0.0448147	Sterimol/B1: 2.96157	Sterimol/B2: 3.59004	Sterimol/B3: 3.71421
Sterimol/B4: 5.81492	Sterimol/L: 16.323

Surface and Volume Properties
Accessible surface: 514.103	Positive charged surface: 264.336	Negative charged surface: 249.766	Volume: 257.625
Hydrophobic surface: 406.699	Hydrophilic surface: 107.404

Pharmacophoric Properties
Hydrogen bond donors: 1	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.