MMsINC Database Search


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MMsINC code: MMs03761235

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

O(C)c1ccccc1/C(=N\OC(=O)c1c2c(ccc1)cccc2)/N

InChI:

InChI=1/C19H16N2O3/c1-23-17-12-5-4-10-16(17)18(20)21-24-19(22)15-11-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3,(H2,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.003 kcal/mol

Physical Properties
Molecular Weight: 320.348 g/mol	logS: -5.85649	SlogP: 3.3257	Reactive groups: 0

Topological Properties
Globularity: 0.00285108	Sterimol/B1: 2.07321	Sterimol/B2: 2.37347	Sterimol/B3: 2.37481
Sterimol/B4: 7.99799	Sterimol/L: 16.9955

Surface and Volume Properties
Accessible surface: 562.126	Positive charged surface: 336.231	Negative charged surface: 214.484	Volume: 306.625
Hydrophobic surface: 478.809	Hydrophilic surface: 83.317

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.