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MMsINC code: MMs03542420

Type: Neutral
Formula: C₁₉H₁₈N₂O₅

SMILES:

O=C1N(Cc2ccccc2)C(C(O)=O)C(N1Cc1ccccc1)C(O)=O

InChI:

InChI=1/C19H18N2O5/c22-17(23)15-16(18(24)25)21(12-14-9-5-2-6-10-14)19(26)20(15)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,22,23)(H,24,25)/t15-,16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.9626 kcal/mol

Physical Properties
Molecular Weight: 354.362 g/mol	logS: -3.06867	SlogP: 2.5636	Reactive groups: 0

Topological Properties
Globularity: 0.102405	Sterimol/B1: 2.97093	Sterimol/B2: 3.31608	Sterimol/B3: 4.84872
Sterimol/B4: 6.83954	Sterimol/L: 15.7481

Surface and Volume Properties
Accessible surface: 562.521	Positive charged surface: 337.502	Negative charged surface: 225.018	Volume: 320.375
Hydrophobic surface: 407.272	Hydrophilic surface: 155.249

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs03542421
PUBCHEM-ZINC06096316