MMsINC Database Search


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MMsINC code: MMs03145892

Type: Neutral
Formula: C₁₅H₁₁FO₂

SMILES:

Fc1ccc(cc1)\C=C\C(=O)c1cc(O)ccc1

InChI:

InChI=1/C15H11FO2/c16-13-7-4-11(5-8-13)6-9-15(18)12-2-1-3-14(17)10-12/h1-10,17H/b9-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.976 kcal/mol

Physical Properties
Molecular Weight: 242.249 g/mol	logS: -3.89654	SlogP: 3.4274	Reactive groups: 1

Topological Properties
Globularity: 0.00156966	Sterimol/B1: 2.14536	Sterimol/B2: 2.19412	Sterimol/B3: 2.56341
Sterimol/B4: 5.87377	Sterimol/L: 15.5126

Surface and Volume Properties
Accessible surface: 467.558	Positive charged surface: 217.395	Negative charged surface: 250.162	Volume: 229.125
Hydrophobic surface: 381.072	Hydrophilic surface: 86.486

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.