MMsINC Database Search


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MMsINC code: MMs02470988

Type: Ionized
Formula: C₂₀H₁₅O₃-

SMILES:

OC(c1ccc(cc1)C(=O)[O-])(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H16O3/c21-19(22)15-11-13-18(14-12-15)20(23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,23H,(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.034 kcal/mol

Physical Properties
Molecular Weight: 303.337 g/mol	logS: -4.92155	SlogP: 2.6458	Reactive groups: 0

Topological Properties
Globularity: 0.208652	Sterimol/B1: 2.33225	Sterimol/B2: 3.43566	Sterimol/B3: 4.56206
Sterimol/B4: 9.4949	Sterimol/L: 13.0462

Surface and Volume Properties
Accessible surface: 534.879	Positive charged surface: 271.356	Negative charged surface: 263.523	Volume: 299.75
Hydrophobic surface: 421.857	Hydrophilic surface: 113.022

Pharmacophoric Properties
Hydrogen bond donors: 1	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:

MMs02470987
NCID-ZINC05538754