MMsINC Database Search


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MMsINC code: MMs01302916

Type: Neutral
Formula: C₁₈H₁₄N₂O₅

SMILES:

O=C1N(CC(=O)N(C)c2ccccc2C(O)=O)C(=O)c2c1cccc2

InChI:

InChI=1/C18H14N2O5/c1-19(14-9-5-4-8-13(14)18(24)25)15(21)10-20-16(22)11-6-2-3-7-12(11)17(20)23/h2-9H,10H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0491 kcal/mol

Physical Properties
Molecular Weight: 338.319 g/mol	logS: -3.79457	SlogP: 1.6438	Reactive groups: 0

Topological Properties
Globularity: 0.139968	Sterimol/B1: 2.03926	Sterimol/B2: 3.68898	Sterimol/B3: 5.77531
Sterimol/B4: 6.54656	Sterimol/L: 15.4334

Surface and Volume Properties
Accessible surface: 558.78	Positive charged surface: 323.159	Negative charged surface: 235.622	Volume: 300.125
Hydrophobic surface: 391.186	Hydrophilic surface: 167.594

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

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

MMs01302917
ENAMINE-ZINC03195975