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MMsINC code: MMs02291218

Type: Ionized
Formula: C₁₆H₁₀O₄-2

SMILES:

O=C([O-])C1c2c(-c3c(cccc3)C1C(=O)[O-])cccc2

InChI:

InChI=1/C16H12O4/c17-15(18)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16(19)20/h1-8,13-14H,(H,17,18)(H,19,20)/p-2/t13-,14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.6616 kcal/mol

Physical Properties
Molecular Weight: 266.252 g/mol	logS: -4.29186	SlogP: 0.0342	Reactive groups: 0

Topological Properties
Globularity: 0.169232	Sterimol/B1: 2.4651	Sterimol/B2: 3.99468	Sterimol/B3: 4.66275
Sterimol/B4: 6.51503	Sterimol/L: 12.287

Surface and Volume Properties
Accessible surface: 439.454	Positive charged surface: 190.557	Negative charged surface: 243.781	Volume: 241
Hydrophobic surface: 288.526	Hydrophilic surface: 150.928

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 4	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

search links for this molecule:

Parent related molecule:

MMs02291217
NCID-ZINC01651933