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MMsINC code: MMs01727918

Type: Neutral
Formula: C₁₉H₁₆N₂O₅

SMILES:

O=C1N(C(CCC(=O)Nc2ccccc2)C(O)=O)C(=O)c2c1cccc2

InChI:

InChI=1/C19H16N2O5/c22-16(20-12-6-2-1-3-7-12)11-10-15(19(25)26)21-17(23)13-8-4-5-9-14(13)18(21)24/h1-9,15H,10-11H2,(H,20,22)(H,25,26)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9188 kcal/mol

Physical Properties
Molecular Weight: 352.346 g/mol	logS: -4.01069	SlogP: 2.1547	Reactive groups: 0

Topological Properties
Globularity: 0.113972	Sterimol/B1: 3.4009	Sterimol/B2: 4.04836	Sterimol/B3: 4.87551
Sterimol/B4: 7.6566	Sterimol/L: 15.9862

Surface and Volume Properties
Accessible surface: 592.708	Positive charged surface: 324.831	Negative charged surface: 267.877	Volume: 319.75
Hydrophobic surface: 405.574	Hydrophilic surface: 187.134

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs01727919
FRINTON-ZINC01711210