MMsINC Database Search


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MMsINC code: MMs00503990

Type: Neutral
Formula: C₁₈H₁₆N₂O₅

SMILES:

O1C(=Nc2c(cc(OC)c(OC)c2)C1=O)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C18H16N2O5/c1-10(21)19-12-6-4-11(5-7-12)17-20-14-9-16(24-3)15(23-2)8-13(14)18(22)25-17/h4-9H,1-3H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105 kcal/mol

Physical Properties
Molecular Weight: 340.335 g/mol	logS: -4.82537	SlogP: 2.9109	Reactive groups: 0

Topological Properties
Globularity: 0.00763986	Sterimol/B1: 2.44942	Sterimol/B2: 2.54611	Sterimol/B3: 5.00122
Sterimol/B4: 5.96301	Sterimol/L: 19.0604

Surface and Volume Properties
Accessible surface: 590.921	Positive charged surface: 400.402	Negative charged surface: 190.519	Volume: 309.875
Hydrophobic surface: 451.063	Hydrophilic surface: 139.858

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.