MMsINC Database Search


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MMsINC code: MMs00986203

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O(CC(=O)Nc1cc(OC)ccc1)C1=CC(=O)N(c2c1cccc2)C

InChI:

InChI=1/C19H18N2O4/c1-21-16-9-4-3-8-15(16)17(11-19(21)23)25-12-18(22)20-13-6-5-7-14(10-13)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)=105.617 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -4.24242	SlogP: 2.6678	Reactive groups: 0

Topological Properties
Globularity: 0.0142866	Sterimol/B1: 2.82979	Sterimol/B2: 3.04919	Sterimol/B3: 3.29075
Sterimol/B4: 7.13439	Sterimol/L: 19.0588

Surface and Volume Properties
Accessible surface: 602.151	Positive charged surface: 396.806	Negative charged surface: 205.345	Volume: 317.5
Hydrophobic surface: 500.074	Hydrophilic surface: 102.077

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.