MMsINC Database Search


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MMsINC code: MMs00122298

Type: Neutral
Formula: C₁₄H₁₄FNO

SMILES:

Fc1ccccc1NCc1ccccc1OC

InChI:

InChI=1/C14H14FNO/c1-17-14-9-5-2-6-11(14)10-16-13-8-4-3-7-12(13)15/h2-9,16H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9606 kcal/mol

Physical Properties
Molecular Weight: 231.27 g/mol	logS: -3.2946	SlogP: 3.7128	Reactive groups: 0

Topological Properties
Globularity: 0.104727	Sterimol/B1: 2.38422	Sterimol/B2: 3.16625	Sterimol/B3: 4.42783
Sterimol/B4: 7.26523	Sterimol/L: 14.1106

Surface and Volume Properties
Accessible surface: 464.051	Positive charged surface: 290.784	Negative charged surface: 173.267	Volume: 228.875
Hydrophobic surface: 447.06	Hydrophilic surface: 16.991

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.