MMsINC Database Search


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MMsINC code: MMs01608337

Type: Neutral
Formula: C₁₅H₁₄FNO₃

SMILES:

Fc1ccc(OCCOc2ccccc2C(=O)N)cc1

InChI:

InChI=1/C15H14FNO3/c16-11-5-7-12(8-6-11)19-9-10-20-14-4-2-1-3-13(14)15(17)18/h1-8H,9-10H2,(H2,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0864 kcal/mol

Physical Properties
Molecular Weight: 275.279 g/mol	logS: -3.82708	SlogP: 2.3824	Reactive groups: 0

Topological Properties
Globularity: 0.0521665	Sterimol/B1: 3.13345	Sterimol/B2: 3.56094	Sterimol/B3: 3.59425
Sterimol/B4: 5.84145	Sterimol/L: 16.1289

Surface and Volume Properties
Accessible surface: 510.103	Positive charged surface: 300.552	Negative charged surface: 209.551	Volume: 254.25
Hydrophobic surface: 410.382	Hydrophilic surface: 99.721

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.