MMsINC Database Search


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MMsINC code: MMs02708579

Type: Neutral
Formula: C₁₆H₁₄FNO

SMILES:

Fc1ccccc1C(O)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C16H14FNO/c1-10-15(12-7-3-5-9-14(12)18-10)16(19)11-6-2-4-8-13(11)17/h2-9,16,18-19H,1H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.6302 kcal/mol

Physical Properties
Molecular Weight: 255.292 g/mol	logS: -3.82207	SlogP: 3.79262	Reactive groups: 0

Topological Properties
Globularity: 0.181868	Sterimol/B1: 2.10599	Sterimol/B2: 3.53402	Sterimol/B3: 4.12924
Sterimol/B4: 8.25272	Sterimol/L: 11.7929

Surface and Volume Properties
Accessible surface: 447.85	Positive charged surface: 238.111	Negative charged surface: 205.18	Volume: 244.625
Hydrophobic surface: 386.983	Hydrophilic surface: 60.867

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.