MMsINC Database Search


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MMsINC code: MMs02315926

Type: Ionized
Formula: C₁₅H₁₀FO₃-

SMILES:

Fc1ccc(cc1C(=O)c1ccccc1C(=O)[O-])C

InChI:

InChI=1/C15H11FO3/c1-9-6-7-13(16)12(8-9)14(17)10-4-2-3-5-11(10)15(18)19/h2-8H,1H3,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.5641 kcal/mol

Physical Properties
Molecular Weight: 257.24 g/mol	logS: -4.45644	SlogP: 1.72862	Reactive groups: 0

Topological Properties
Globularity: 0.177573	Sterimol/B1: 2.1221	Sterimol/B2: 2.71183	Sterimol/B3: 5.19021
Sterimol/B4: 6.90625	Sterimol/L: 12.3509

Surface and Volume Properties
Accessible surface: 443.728	Positive charged surface: 206.353	Negative charged surface: 237.375	Volume: 233
Hydrophobic surface: 351.552	Hydrophilic surface: 92.176

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:

MMs02315925
NCID-ZINC01682084