MMsINC Database Search


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MMsINC code: MMs00056598

Type: Neutral
Formula: C₁₅H₁₁FO₂

SMILES:

Fc1ccc(cc1)\C=C\C(=O)c1ccccc1O

InChI:

InChI=1/C15H11FO2/c16-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)17/h1-10,17H/b10-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.9048 kcal/mol

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

Topological Properties
Globularity: 0.00164063	Sterimol/B1: 2.14869	Sterimol/B2: 2.18911	Sterimol/B3: 2.56332
Sterimol/B4: 5.90489	Sterimol/L: 15.0003

Surface and Volume Properties
Accessible surface: 460.171	Positive charged surface: 220.138	Negative charged surface: 240.033	Volume: 228.5
Hydrophobic surface: 388.435	Hydrophilic surface: 71.736

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.