MMsINC Database Search


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MMsINC code: MMs00589818

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

O=C1N(C(C(=O)Nc2ccc(cc2)C(=O)C)C)C(=O)c2c1cccc2

InChI:

InChI=1/C19H16N2O4/c1-11(17(23)20-14-9-7-13(8-10-14)12(2)22)21-18(24)15-5-3-4-6-16(15)19(21)25/h3-11H,1-2H3,(H,20,23)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.3286 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -4.57064	SlogP: 2.5124	Reactive groups: 0

Topological Properties
Globularity: 0.0601834	Sterimol/B1: 2.17149	Sterimol/B2: 3.58234	Sterimol/B3: 4.58521
Sterimol/B4: 7.54567	Sterimol/L: 17.1916

Surface and Volume Properties
Accessible surface: 582.007	Positive charged surface: 310.184	Negative charged surface: 271.823	Volume: 311.75
Hydrophobic surface: 427.487	Hydrophilic surface: 154.52

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.