MMsINC Database Search


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MMsINC code: MMs00850572

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

o1nc(cc1-c1ccccc1OC)C(=O)NCc1ccc(OC)cc1

InChI:

InChI=1/C19H18N2O4/c1-23-14-9-7-13(8-10-14)12-20-19(22)16-11-18(25-21-16)15-5-3-4-6-17(15)24-2/h3-11H,12H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.5948 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -4.59412	SlogP: 3.5552	Reactive groups: 0

Topological Properties
Globularity: 0.0461911	Sterimol/B1: 2.30933	Sterimol/B2: 4.18066	Sterimol/B3: 5.36971
Sterimol/B4: 5.54217	Sterimol/L: 19.9615

Surface and Volume Properties
Accessible surface: 629.524	Positive charged surface: 411.718	Negative charged surface: 217.806	Volume: 321.125
Hydrophobic surface: 530.003	Hydrophilic surface: 99.521

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.