MMsINC Database Search


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MMsINC code: MMs00851169

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

o1nc(cc1-c1cc(OC)c(OC)cc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C19H18N2O4/c1-23-16-9-8-14(10-18(16)24-2)17-11-15(21-25-17)19(22)20-12-13-6-4-3-5-7-13/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)=93.5136 kcal/mol

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

Topological Properties
Globularity: 0.0240541	Sterimol/B1: 2.9727	Sterimol/B2: 3.61856	Sterimol/B3: 3.61934
Sterimol/B4: 7.2087	Sterimol/L: 20.2325

Surface and Volume Properties
Accessible surface: 630.67	Positive charged surface: 409.215	Negative charged surface: 221.455	Volume: 323.5
Hydrophobic surface: 525.402	Hydrophilic surface: 105.268

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.