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MMsINC code: MMs03131330

Type: Ionized
Formula: C₂₃H₁₅O₅-

SMILES:

O1c2cc(OCc3ccc(cc3)C(=O)[O-])ccc2C=C(c2ccccc2)C1=O

InChI:

InChI=1/C23H16O5/c24-22(25)17-8-6-15(7-9-17)14-27-19-11-10-18-12-20(16-4-2-1-3-5-16)23(26)28-21(18)13-19/h1-13H,14H2,(H,24,25)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.669 kcal/mol

Physical Properties
Molecular Weight: 371.368 g/mol	logS: -6.59662	SlogP: 3.3551	Reactive groups: 0

Topological Properties
Globularity: 0.0268072	Sterimol/B1: 3.45277	Sterimol/B2: 3.52177	Sterimol/B3: 4.09572
Sterimol/B4: 4.59935	Sterimol/L: 22.1946

Surface and Volume Properties
Accessible surface: 640.587	Positive charged surface: 321.474	Negative charged surface: 319.113	Volume: 347.375
Hydrophobic surface: 487.831	Hydrophilic surface: 152.756

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	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:

MMs03131329
PUBCHEM-ZINC04538798