MMsINC Database Search


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MMsINC code: MMs02651828

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

O(C)c1cc2c(cc1C(=O)N\N=C\c1ccccc1O)cccc2

InChI:

InChI=1/C19H16N2O3/c1-24-18-11-14-7-3-2-6-13(14)10-16(18)19(23)21-20-12-15-8-4-5-9-17(15)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)=123.458 kcal/mol

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

Topological Properties
Globularity: 0.00278425	Sterimol/B1: 2.37342	Sterimol/B2: 2.37657	Sterimol/B3: 2.47018
Sterimol/B4: 9.07656	Sterimol/L: 18.3108

Surface and Volume Properties
Accessible surface: 583.343	Positive charged surface: 359.28	Negative charged surface: 212.992	Volume: 307.125
Hydrophobic surface: 481.797	Hydrophilic surface: 101.546

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.