MMsINC Database Search


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MMsINC code: MMs00919951

Type: Neutral
Formula: C₁₉H₁₈N₂O₅

SMILES:

o1nc(cc1-c1ccccc1OC)C(=O)Nc1ccc(OC)cc1OC

InChI:

InChI=1/C19H18N2O5/c1-23-12-8-9-14(18(10-12)25-3)20-19(22)15-11-17(26-21-15)13-6-4-5-7-16(13)24-2/h4-11H,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.61 kcal/mol

Physical Properties
Molecular Weight: 354.362 g/mol	logS: -4.70046	SlogP: 3.6197	Reactive groups: 0

Topological Properties
Globularity: 0.0145627	Sterimol/B1: 2.69143	Sterimol/B2: 2.71329	Sterimol/B3: 3.42577
Sterimol/B4: 8.04547	Sterimol/L: 19.422

Surface and Volume Properties
Accessible surface: 629.85	Positive charged surface: 442.253	Negative charged surface: 187.597	Volume: 328.25
Hydrophobic surface: 537.107	Hydrophilic surface: 92.743

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.