MMsINC Database Search


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MMsINC code: MMs03950750

Type: Neutral
Formula: C₁₄H₁₃FO

SMILES:

Fc1ccc(cc1C)-c1cc(ccc1)CO

InChI:

InChI=1/C14H13FO/c1-10-7-13(5-6-14(10)15)12-4-2-3-11(8-12)9-16/h2-8,16H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.6917 kcal/mol

Physical Properties
Molecular Weight: 216.255 g/mol	logS: -4.03773	SlogP: 3.55982	Reactive groups: 0

Topological Properties
Globularity: 0.018009	Sterimol/B1: 2.49375	Sterimol/B2: 2.77744	Sterimol/B3: 3.91151
Sterimol/B4: 5.65037	Sterimol/L: 13.3532

Surface and Volume Properties
Accessible surface: 437.599	Positive charged surface: 235.361	Negative charged surface: 191.054	Volume: 214.375
Hydrophobic surface: 373.852	Hydrophilic surface: 63.747

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