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MMsINC code: MMs00632481

Type: Neutral
Formula: C₁₉H₁₅NO₃S

SMILES:

s1c(cc(C(O)=O)c1NC(=O)c1ccc(cc1)C)-c1ccccc1

InChI:

InChI=1/C19H15NO3S/c1-12-7-9-14(10-8-12)17(21)20-18-15(19(22)23)11-16(24-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4368 kcal/mol

Physical Properties
Molecular Weight: 337.399 g/mol	logS: -6.15838	SlogP: 4.67402	Reactive groups: 0

Topological Properties
Globularity: 0.00182249	Sterimol/B1: 2.18077	Sterimol/B2: 2.51222	Sterimol/B3: 4.39952
Sterimol/B4: 6.83385	Sterimol/L: 18.634

Surface and Volume Properties
Accessible surface: 575.195	Positive charged surface: 292.945	Negative charged surface: 282.251	Volume: 308.5
Hydrophobic surface: 457.061	Hydrophilic surface: 118.134

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00632482
CHEMBRIDGE-ZINC00570938