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MMsINC code: MMs00492314

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O=C1N(C(=O)CC1N(Cc1ccccc1)C)c1ccc(cc1)C(O)=O

InChI:

InChI=1/C19H18N2O4/c1-20(12-13-5-3-2-4-6-13)16-11-17(22)21(18(16)23)15-9-7-14(8-10-15)19(24)25/h2-10,16H,11-12H2,1H3,(H,24,25)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.8941 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -3.53424	SlogP: 2.4151	Reactive groups: 0

Topological Properties
Globularity: 0.0733686	Sterimol/B1: 2.58605	Sterimol/B2: 4.53755	Sterimol/B3: 4.67865
Sterimol/B4: 5.19709	Sterimol/L: 18.034

Surface and Volume Properties
Accessible surface: 576.231	Positive charged surface: 330.921	Negative charged surface: 245.309	Volume: 316.125
Hydrophobic surface: 410.916	Hydrophilic surface: 165.315

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00492315
CHEMBLOCK-ZINC00061942