MMsINC Database Search


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MMsINC code: MMs00491656

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

O(C)c1ccc(cc1)\C=N\NC(=O)c1cc2c(cc1O)cccc2

InChI:

InChI=1/C19H16N2O3/c1-24-16-8-6-13(7-9-16)12-20-21-19(23)17-10-14-4-2-3-5-15(14)11-18(17)22/h2-12,22H,1H3,(H,21,23)/b20-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.401 kcal/mol

Physical Properties
Molecular Weight: 320.348 g/mol	logS: -5.10446	SlogP: 3.3179	Reactive groups: 0

Topological Properties
Globularity: 0.00209979	Sterimol/B1: 2.35947	Sterimol/B2: 2.38996	Sterimol/B3: 4.09982
Sterimol/B4: 5.35747	Sterimol/L: 20.3566

Surface and Volume Properties
Accessible surface: 589.44	Positive charged surface: 354.835	Negative charged surface: 223.535	Volume: 307.5
Hydrophobic surface: 468.427	Hydrophilic surface: 121.013

Pharmacophoric Properties
Hydrogen bond donors: 2	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.