MMsINC Database Search


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MMsINC code: MMs02706842

Type: Ionized
Formula: C₁₈H₁₃O₃-

SMILES:

O(Cc1ccccc1)c1ccc2c(cccc2)c1C(=O)[O-]

InChI:

InChI=1/C18H14O3/c19-18(20)17-15-9-5-4-8-14(15)10-11-16(17)21-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.1933 kcal/mol

Physical Properties
Molecular Weight: 277.299 g/mol	logS: -5.31089	SlogP: 3.0487	Reactive groups: 0

Topological Properties
Globularity: 0.0157467	Sterimol/B1: 3.02235	Sterimol/B2: 3.04289	Sterimol/B3: 3.96342
Sterimol/B4: 4.96714	Sterimol/L: 16.2355

Surface and Volume Properties
Accessible surface: 502.837	Positive charged surface: 238.503	Negative charged surface: 253.664	Volume: 271.25
Hydrophobic surface: 430.038	Hydrophilic surface: 72.799

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:

MMs02706841
PUBCHEM-ZINC00571372