MMsINC Database Search


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MMsINC code: MMs02334141

Type: Ionized
Formula: C₁₅H₁₁O₄-

SMILES:

O(C(=O)c1ccccc1-c1ccccc1C(=O)[O-])C

InChI:

InChI=1/C15H12O4/c1-19-15(18)13-9-5-3-7-11(13)10-6-2-4-8-12(10)14(16)17/h2-9H,1H3,(H,16,17)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5453 kcal/mol

Physical Properties
Molecular Weight: 255.249 g/mol	logS: -4.42284	SlogP: 1.5037	Reactive groups: 0

Topological Properties
Globularity: 0.228896	Sterimol/B1: 2.16047	Sterimol/B2: 3.21451	Sterimol/B3: 4.87579
Sterimol/B4: 8.53785	Sterimol/L: 12.1194

Surface and Volume Properties
Accessible surface: 443.185	Positive charged surface: 250.528	Negative charged surface: 192.1	Volume: 238.375
Hydrophobic surface: 354.995	Hydrophilic surface: 88.19

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

search links for this molecule:

Parent related molecule:

MMs02334140
NCID-ZINC01705630