MMsINC Database Search


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MMsINC code: MMs02631270

Type: Neutral
Formula: C₁₄H₁₂FNO

SMILES:

Fc1cc(\N=C\c2ccccc2O)ccc1C

InChI:

InChI=1/C14H12FNO/c1-10-6-7-12(8-13(10)15)16-9-11-4-2-3-5-14(11)17/h2-9,17H,1H3/b16-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.497 kcal/mol

Physical Properties
Molecular Weight: 229.254 g/mol	logS: -3.40312	SlogP: 3.59032	Reactive groups: 0

Topological Properties
Globularity: 0.0230781	Sterimol/B1: 2.50606	Sterimol/B2: 2.7711	Sterimol/B3: 3.56351
Sterimol/B4: 4.02946	Sterimol/L: 15.1263

Surface and Volume Properties
Accessible surface: 459.648	Positive charged surface: 260.657	Negative charged surface: 198.992	Volume: 223.875
Hydrophobic surface: 408.646	Hydrophilic surface: 51.002

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.