MMsINC Database Search


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MMsINC code: MMs02918505

Type: Neutral
Formula: C₂₂H₂₀FNO₃

SMILES:

Fc1ccccc1CNC(=O)c1ccc(cc1)COc1cc(OC)ccc1

InChI:

InChI=1/C22H20FNO3/c1-26-19-6-4-7-20(13-19)27-15-16-9-11-17(12-10-16)22(25)24-14-18-5-2-3-8-21(18)23/h2-13H,14-15H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.5848 kcal/mol

Physical Properties
Molecular Weight: 365.404 g/mol	logS: -5.46255	SlogP: 4.8761	Reactive groups: 0

Topological Properties
Globularity: 0.0468485	Sterimol/B1: 2.60493	Sterimol/B2: 2.68901	Sterimol/B3: 5.13389
Sterimol/B4: 6.63448	Sterimol/L: 20.4398

Surface and Volume Properties
Accessible surface: 668.887	Positive charged surface: 399.181	Negative charged surface: 269.706	Volume: 352
Hydrophobic surface: 605.119	Hydrophilic surface: 63.768

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.