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MMsINC code: MMs00775572

Type: Ionized
Formula: C₁₉H₁₁NO₇-2

SMILES:

O=C1N(CCC(=O)[O-])C(=O)c2c1cc(cc2)C(=O)c1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C19H13NO7/c21-15(22)7-8-20-17(24)13-6-5-12(9-14(13)18(20)25)16(23)10-1-3-11(4-2-10)19(26)27/h1-6,9H,7-8H2,(H,21,22)(H,26,27)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.3735 kcal/mol

Physical Properties
Molecular Weight: 365.297 g/mol	logS: -4.3756	SlogP: -0.9829	Reactive groups: 0

Topological Properties
Globularity: 0.0474632	Sterimol/B1: 2.78648	Sterimol/B2: 3.80458	Sterimol/B3: 4.2553
Sterimol/B4: 6.12979	Sterimol/L: 17.7655

Surface and Volume Properties
Accessible surface: 577.988	Positive charged surface: 250.795	Negative charged surface: 327.193	Volume: 307.375
Hydrophobic surface: 283.688	Hydrophilic surface: 294.3

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 4	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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Parent related molecule:

MMs00775571
CHEMBRIDGE-ZINC04670566