MMsINC Database Search


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MMsINC code: MMs00160523

Type: Neutral
Formula: C₁₉H₁₆N₂O₃S

SMILES:

s1cccc1C(=O)Nc1cc(NC(=O)c2cc(OC)ccc2)ccc1

InChI:

InChI=1/C19H16N2O3S/c1-24-16-8-2-5-13(11-16)18(22)20-14-6-3-7-15(12-14)21-19(23)17-9-4-10-25-17/h2-12H,1H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0727 kcal/mol

Physical Properties
Molecular Weight: 352.414 g/mol	logS: -5.18191	SlogP: 4.2613	Reactive groups: 0

Topological Properties
Globularity: 0.0184096	Sterimol/B1: 2.5127	Sterimol/B2: 3.28426	Sterimol/B3: 3.43109
Sterimol/B4: 8.36589	Sterimol/L: 19.0106

Surface and Volume Properties
Accessible surface: 615.798	Positive charged surface: 335.235	Negative charged surface: 280.563	Volume: 325.125
Hydrophobic surface: 525.811	Hydrophilic surface: 89.987

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