MMsINC Database Search


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MMsINC code: MMs01515260

Type: Neutral
Formula: C₁₉H₁₆N₂O₆

SMILES:

O(C(=O)C)c1c(OC)cc(cc1OC)\C=N\N1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C19H16N2O6/c1-11(22)27-17-15(25-2)8-12(9-16(17)26-3)10-20-21-18(23)13-6-4-5-7-14(13)19(21)24/h4-10H,1-3H3/b20-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.745 kcal/mol

Physical Properties
Molecular Weight: 368.345 g/mol	logS: -4.39615	SlogP: 2.2592	Reactive groups: 0

Topological Properties
Globularity: 0.0160923	Sterimol/B1: 2.74785	Sterimol/B2: 3.60301	Sterimol/B3: 5.40087
Sterimol/B4: 6.38416	Sterimol/L: 18.9121

Surface and Volume Properties
Accessible surface: 635.04	Positive charged surface: 408.154	Negative charged surface: 226.887	Volume: 329.625
Hydrophobic surface: 479.735	Hydrophilic surface: 155.305

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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.