MMsINC Database Search


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MMsINC code: MMs01085450

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

O(C)c1cc2c(cc1C(=O)N\N=C\c1ccc(O)cc1)cccc2

InChI:

InChI=1/C19H16N2O3/c1-24-18-11-15-5-3-2-4-14(15)10-17(18)19(23)21-20-12-13-6-8-16(22)9-7-13/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)=113.855 kcal/mol

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

Topological Properties
Globularity: 0.00255092	Sterimol/B1: 2.36653	Sterimol/B2: 2.38244	Sterimol/B3: 2.47331
Sterimol/B4: 9.08844	Sterimol/L: 18.8611

Surface and Volume Properties
Accessible surface: 598.275	Positive charged surface: 364.45	Negative charged surface: 221.61	Volume: 307.125
Hydrophobic surface: 474.021	Hydrophilic surface: 124.254

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.