MMsINC Database Search


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MMsINC code: MMs01625210

Type: Neutral
Formula: C₁₉H₁₈N₂O₄S

SMILES:

s1c2cc(NC(=O)COc3ccc(cc3OC)C(=O)C)ccc2nc1C

InChI:

InChI=1/C19H18N2O4S/c1-11(22)13-4-7-16(17(8-13)24-3)25-10-19(23)21-14-5-6-15-18(9-14)26-12(2)20-15/h4-9H,10H2,1-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.589 kcal/mol

Physical Properties
Molecular Weight: 370.429 g/mol	logS: -4.47174	SlogP: 3.83342	Reactive groups: 0

Topological Properties
Globularity: 0.0105569	Sterimol/B1: 2.78352	Sterimol/B2: 3.012	Sterimol/B3: 4.5518
Sterimol/B4: 6.14379	Sterimol/L: 20.5362

Surface and Volume Properties
Accessible surface: 652.252	Positive charged surface: 397.526	Negative charged surface: 254.726	Volume: 335.75
Hydrophobic surface: 526.236	Hydrophilic surface: 126.016

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.