MMsINC Database Search


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MMsINC code: MMs00851465

Type: Neutral
Formula: C₁₅H₁₈N₂O₄

SMILES:

o1nc(cc1C)C(=O)NCCc1cc(OC)c(OC)cc1

InChI:

InChI=1/C15H18N2O4/c1-10-8-12(17-21-10)15(18)16-7-6-11-4-5-13(19-2)14(9-11)20-3/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.5482 kcal/mol

Physical Properties
Molecular Weight: 290.319 g/mol	logS: -2.5738	SlogP: 1.97269	Reactive groups: 0

Topological Properties
Globularity: 0.0360257	Sterimol/B1: 3.1246	Sterimol/B2: 3.63518	Sterimol/B3: 3.87217
Sterimol/B4: 5.64439	Sterimol/L: 18.893

Surface and Volume Properties
Accessible surface: 564.123	Positive charged surface: 388.14	Negative charged surface: 175.983	Volume: 278.625
Hydrophobic surface: 465.19	Hydrophilic surface: 98.933

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.