MMsINC Database Search


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MMsINC code: MMs01631814

Type: Neutral
Formula: C₁₉H₂₂N₂O₄

SMILES:

O(C)c1cc(ccc1)C(=O)N(CC(=O)Nc1cc(OC)ccc1)CC

InChI:

InChI=1/C19H22N2O4/c1-4-21(19(23)14-7-5-9-16(11-14)24-2)13-18(22)20-15-8-6-10-17(12-15)25-3/h5-12H,4,13H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.711 kcal/mol

Physical Properties
Molecular Weight: 342.395 g/mol	logS: -3.84942	SlogP: 2.8046	Reactive groups: 0

Topological Properties
Globularity: 0.0725828	Sterimol/B1: 2.48813	Sterimol/B2: 3.02021	Sterimol/B3: 4.15284
Sterimol/B4: 9.60815	Sterimol/L: 17.3087

Surface and Volume Properties
Accessible surface: 607.9	Positive charged surface: 426.341	Negative charged surface: 181.559	Volume: 332.375
Hydrophobic surface: 504.007	Hydrophilic surface: 103.893

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.