MMsINC Database Search


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MMsINC code: MMs00005601

Type: Ionized
Formula: C₁₄H₉O₃-

SMILES:

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

InChI:

InChI=1/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.6213 kcal/mol

Physical Properties
Molecular Weight: 225.223 g/mol	logS: -3.68754	SlogP: 1.2811	Reactive groups: 0

Topological Properties
Globularity: 0.15084	Sterimol/B1: 2.88008	Sterimol/B2: 4.06004	Sterimol/B3: 4.64589
Sterimol/B4: 4.96169	Sterimol/L: 12.4076

Surface and Volume Properties
Accessible surface: 415.652	Positive charged surface: 191.19	Negative charged surface: 224.462	Volume: 213.75
Hydrophobic surface: 319.242	Hydrophilic surface: 96.41

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:

MMs00005600
ACROSORGANICS-ZINC00157193