MMsINC Database Search


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MMsINC code: MMs02134493

Type: Neutral
Formula: C₁₉H₁₆N₂O₂S

SMILES:

s1c(cc(NC(=O)c2ccc(cc2)C)c1C(=O)N)-c1ccccc1

InChI:

InChI=1/C19H16N2O2S/c1-12-7-9-14(10-8-12)19(23)21-15-11-16(24-17(15)18(20)22)13-5-3-2-4-6-13/h2-11H,1H3,(H2,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5368 kcal/mol

Physical Properties
Molecular Weight: 336.415 g/mol	logS: -6.28276	SlogP: 4.07472	Reactive groups: 0

Topological Properties
Globularity: 0.00256649	Sterimol/B1: 2.27503	Sterimol/B2: 2.52377	Sterimol/B3: 4.26515
Sterimol/B4: 7.93705	Sterimol/L: 17.7851

Surface and Volume Properties
Accessible surface: 587.221	Positive charged surface: 302.921	Negative charged surface: 284.3	Volume: 312.875
Hydrophobic surface: 462.623	Hydrophilic surface: 124.598

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.