MMsINC Database Search


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MMsINC code: MMs00499483

Type: Neutral
Formula: C₁₅H₁₆N₂O₄

SMILES:

O(C)c1cc(ccc1OC)C(=O)Nc1ccc(OC)nc1

InChI:

InChI=1/C15H16N2O4/c1-19-12-6-4-10(8-13(12)20-2)15(18)17-11-5-7-14(21-3)16-9-11/h4-9H,1-3H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.2225 kcal/mol

Physical Properties
Molecular Weight: 288.303 g/mol	logS: -2.55913	SlogP: 2.3597	Reactive groups: 0

Topological Properties
Globularity: 0.0171327	Sterimol/B1: 2.04574	Sterimol/B2: 2.84352	Sterimol/B3: 3.04908
Sterimol/B4: 7.51013	Sterimol/L: 18.004

Surface and Volume Properties
Accessible surface: 540.142	Positive charged surface: 419.379	Negative charged surface: 120.763	Volume: 269.625
Hydrophobic surface: 461.649	Hydrophilic surface: 78.493

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.