MMsINC Database Search


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MMsINC code: MMs01222410

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

O(C)c1ccc2c(cccc2)c1\C=N\NC(=O)c1ccccc1O

InChI:

InChI=1/C19H16N2O3/c1-24-18-11-10-13-6-2-3-7-14(13)16(18)12-20-21-19(23)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)=129.81 kcal/mol

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

Topological Properties
Globularity: 0.00312777	Sterimol/B1: 2.01944	Sterimol/B2: 2.37282	Sterimol/B3: 2.37614
Sterimol/B4: 9.1772	Sterimol/L: 17.2076

Surface and Volume Properties
Accessible surface: 576.622	Positive charged surface: 355.123	Negative charged surface: 210.4	Volume: 305.125
Hydrophobic surface: 472.508	Hydrophilic surface: 104.114

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.