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MMsINC code: MMs02325746

Type: Neutral
Formula: C₁₇H₁₁NO₅

SMILES:

O1c2c(cc(NC(=O)\C=C\C(O)=O)cc2)-c2c(cccc2)C1=O

InChI:

InChI=1/C17H11NO5/c19-15(7-8-16(20)21)18-10-5-6-14-13(9-10)11-3-1-2-4-12(11)17(22)23-14/h1-9H,(H,18,19)(H,20,21)/b8-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0669 kcal/mol

Physical Properties
Molecular Weight: 309.277 g/mol	logS: -5.39531	SlogP: 2.4655	Reactive groups: 0

Topological Properties
Globularity: 0.00813693	Sterimol/B1: 2.30965	Sterimol/B2: 2.51051	Sterimol/B3: 2.51734
Sterimol/B4: 8.32733	Sterimol/L: 16.4444

Surface and Volume Properties
Accessible surface: 525.644	Positive charged surface: 256.819	Negative charged surface: 258.133	Volume: 270.5
Hydrophobic surface: 316.963	Hydrophilic surface: 208.681

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs02325747
NCID-ZINC01694577