MMsINC Database Search


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MMsINC code: MMs00615757

Type: Ionized
Formula: C₁₅H₁₁O₄-

SMILES:

Oc1cc(ccc1C(=O)c1ccccc1C(=O)[O-])C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.5701 kcal/mol

Physical Properties
Molecular Weight: 255.249 g/mol	logS: -3.79951	SlogP: 1.29512	Reactive groups: 0

Topological Properties
Globularity: 0.122437	Sterimol/B1: 2.96884	Sterimol/B2: 3.24192	Sterimol/B3: 4.99042
Sterimol/B4: 5.41556	Sterimol/L: 13.5837

Surface and Volume Properties
Accessible surface: 457.637	Positive charged surface: 221.451	Negative charged surface: 236.185	Volume: 235.125
Hydrophobic surface: 331.23	Hydrophilic surface: 126.407

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Parent related molecule:

MMs00615756
CHEMBRIDGE-ZINC00439867