MMsINC Database Search


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MMsINC code: MMs00156104

Type: Neutral
Formula: C₁₉H₁₆N₂O₅

SMILES:

O=C1N(C(C(=O)Nc2cc(ccc2)C(OC)=O)C)C(=O)c2c1cccc2

InChI:

InChI=1/C19H16N2O5/c1-11(21-17(23)14-8-3-4-9-15(14)18(21)24)16(22)20-13-7-5-6-12(10-13)19(25)26-2/h3-11H,1-2H3,(H,20,22)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.0823 kcal/mol

Physical Properties
Molecular Weight: 352.346 g/mol	logS: -4.6401	SlogP: 2.0964	Reactive groups: 0

Topological Properties
Globularity: 0.0685313	Sterimol/B1: 2.2378	Sterimol/B2: 4.05267	Sterimol/B3: 4.35726
Sterimol/B4: 8.81311	Sterimol/L: 16.1097

Surface and Volume Properties
Accessible surface: 604.72	Positive charged surface: 358.138	Negative charged surface: 246.582	Volume: 318.625
Hydrophobic surface: 451.792	Hydrophilic surface: 152.928

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.