MMsINC Database Search


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MMsINC code: MMs03585061

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

O(C)c1cccc(\C=N\NC(=O)c2ccc3c(cccc3)c2O)c1O

InChI:

InChI=1/C19H16N2O4/c1-25-16-8-4-6-13(17(16)22)11-20-21-19(24)15-10-9-12-5-2-3-7-14(12)18(15)23/h2-11,22-23H,1H3,(H,21,24)/b20-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.856 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -4.74251	SlogP: 3.0235	Reactive groups: 0

Topological Properties
Globularity: 0.00270265	Sterimol/B1: 2.35994	Sterimol/B2: 2.38835	Sterimol/B3: 2.5563
Sterimol/B4: 6.67245	Sterimol/L: 19.1631

Surface and Volume Properties
Accessible surface: 596.982	Positive charged surface: 376.857	Negative charged surface: 208.196	Volume: 313.5
Hydrophobic surface: 456.755	Hydrophilic surface: 140.227

Pharmacophoric Properties
Hydrogen bond donors: 3	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.