MMsINC Database Search


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MMsINC code: MMs00066105

Type: Neutral
Formula: C₁₄H₁₄FNO

SMILES:

Fc1ccc(NCc2ccccc2CO)cc1

InChI:

InChI=1/C14H14FNO/c15-13-5-7-14(8-6-13)16-9-11-3-1-2-4-12(11)10-17/h1-8,16-17H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.6286 kcal/mol

Physical Properties
Molecular Weight: 231.27 g/mol	logS: -3.01524	SlogP: 3.4629	Reactive groups: 0

Topological Properties
Globularity: 0.107524	Sterimol/B1: 2.43233	Sterimol/B2: 3.54719	Sterimol/B3: 3.83109
Sterimol/B4: 6.99717	Sterimol/L: 14.4376

Surface and Volume Properties
Accessible surface: 460.001	Positive charged surface: 261.277	Negative charged surface: 198.724	Volume: 226.625
Hydrophobic surface: 388.859	Hydrophilic surface: 71.142

Pharmacophoric Properties
Hydrogen bond donors: 2	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.