MMsINC Database Search


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MMsINC code: MMs00881373

Type: Neutral
Formula: C₁₇H₁₁FO₄

SMILES:

Fc1ccc(cc1)C(=O)CC=1C(Oc2c(cccc2)C=1O)=O

InChI:

InChI=1/C17H11FO4/c18-11-7-5-10(6-8-11)14(19)9-13-16(20)12-3-1-2-4-15(12)22-17(13)21/h1-8,20H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.8483 kcal/mol

Physical Properties
Molecular Weight: 298.269 g/mol	logS: -4.73082	SlogP: 3.2868	Reactive groups: 0

Topological Properties
Globularity: 0.0687491	Sterimol/B1: 2.82154	Sterimol/B2: 3.40186	Sterimol/B3: 3.80981
Sterimol/B4: 5.45099	Sterimol/L: 16.7152

Surface and Volume Properties
Accessible surface: 503.84	Positive charged surface: 248.804	Negative charged surface: 255.036	Volume: 260.875
Hydrophobic surface: 393.67	Hydrophilic surface: 110.17

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	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

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Ions/Tautomers related molecules: no related molecules available.