MMsINC Database Search


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MMsINC code: MMs02634528

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O(C)c1ccc2c(cccc2)c1\C=N\NC(=O)c1ccccc1

InChI:

InChI=1/C19H16N2O2/c1-23-18-12-11-14-7-5-6-10-16(14)17(18)13-20-21-19(22)15-8-3-2-4-9-15/h2-13H,1H3,(H,21,22)/b20-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.326 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -5.46641	SlogP: 3.6123	Reactive groups: 0

Topological Properties
Globularity: 0.00225173	Sterimol/B1: 2.04445	Sterimol/B2: 2.37297	Sterimol/B3: 2.37711
Sterimol/B4: 9.24907	Sterimol/L: 17.2332

Surface and Volume Properties
Accessible surface: 564.725	Positive charged surface: 332.911	Negative charged surface: 220.743	Volume: 302.125
Hydrophobic surface: 495.938	Hydrophilic surface: 68.787

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.