MMsINC Database Search


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MMsINC code: MMs01394058

Type: Neutral
Formula: C₁₅H₁₄FNO₃

SMILES:

Fc1ccccc1OCCOc1ccccc1C(=O)N

InChI:

InChI=1/C15H14FNO3/c16-12-6-2-4-8-14(12)20-10-9-19-13-7-3-1-5-11(13)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)=80.5168 kcal/mol

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

Topological Properties
Globularity: 0.054462	Sterimol/B1: 3.32591	Sterimol/B2: 3.55769	Sterimol/B3: 3.60285
Sterimol/B4: 5.83422	Sterimol/L: 15.8549

Surface and Volume Properties
Accessible surface: 509.806	Positive charged surface: 302.905	Negative charged surface: 206.901	Volume: 252.875
Hydrophobic surface: 411.438	Hydrophilic surface: 98.368

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.