MMsINC Database Search


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MMsINC code: MMs02451775

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O(C)c1ccccc1C(=O)N\N=C/c1c2c(ccc1)cccc2

InChI:

InChI=1/C19H16N2O2/c1-23-18-12-5-4-11-17(18)19(22)21-20-13-15-9-6-8-14-7-2-3-10-16(14)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)=144.81 kcal/mol

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

Topological Properties
Globularity: 0.0306978	Sterimol/B1: 2.94658	Sterimol/B2: 3.01324	Sterimol/B3: 3.31769
Sterimol/B4: 6.21501	Sterimol/L: 16.6459

Surface and Volume Properties
Accessible surface: 548.215	Positive charged surface: 324.661	Negative charged surface: 212.479	Volume: 297.25
Hydrophobic surface: 470.992	Hydrophilic surface: 77.223

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.