MMsINC Database Search


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MMsINC code: MMs00846819

Type: Neutral
Formula: C₁₄H₁₄FNO₂

SMILES:

Fc1ccccc1NCc1cc(OC)ccc1O

InChI:

InChI=1/C14H14FNO2/c1-18-11-6-7-14(17)10(8-11)9-16-13-5-3-2-4-12(13)15/h2-8,16-17H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0652 kcal/mol

Physical Properties
Molecular Weight: 247.269 g/mol	logS: -2.93265	SlogP: 3.4184	Reactive groups: 0

Topological Properties
Globularity: 0.0822223	Sterimol/B1: 2.40047	Sterimol/B2: 3.71685	Sterimol/B3: 3.80993
Sterimol/B4: 5.64134	Sterimol/L: 15.4558

Surface and Volume Properties
Accessible surface: 475.252	Positive charged surface: 301.54	Negative charged surface: 173.712	Volume: 235.75
Hydrophobic surface: 408.489	Hydrophilic surface: 66.763

Pharmacophoric Properties
Hydrogen bond donors: 2	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.