MMsINC Database Search


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MMsINC code: MMs02248538

Type: Ionized
Formula: C₁₅H₁₁O₃-

SMILES:

O=C(Cc1ccccc1)c1ccccc1C(=O)[O-]

InChI:

InChI=1/C15H12O3/c16-14(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(17)18/h1-9H,10H2,(H,17,18)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.8867 kcal/mol

Physical Properties
Molecular Weight: 239.25 g/mol	logS: -3.74901	SlogP: 1.47547	Reactive groups: 0

Topological Properties
Globularity: 0.0410827	Sterimol/B1: 3.00952	Sterimol/B2: 3.1689	Sterimol/B3: 3.98568
Sterimol/B4: 4.78517	Sterimol/L: 14.3958

Surface and Volume Properties
Accessible surface: 448.007	Positive charged surface: 214.267	Negative charged surface: 233.741	Volume: 230.75
Hydrophobic surface: 356.697	Hydrophilic surface: 91.31

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:

MMs02248537
NCID-ZINC01594157