MMsINC Database Search


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MMsINC code: MMs00352529

Type: Neutral
Formula: C₁₉H₂₁FN₂O₃

SMILES:

Fc1ccccc1N1CCN(CC1)C(=O)c1ccc(OC)cc1OC

InChI:

InChI=1/C19H21FN2O3/c1-24-14-7-8-15(18(13-14)25-2)19(23)22-11-9-21(10-12-22)17-6-4-3-5-16(17)20/h3-8,13H,9-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=173.73 kcal/mol

Physical Properties
Molecular Weight: 344.386 g/mol	logS: -3.69135	SlogP: 2.8053	Reactive groups: 0

Topological Properties
Globularity: 0.133765	Sterimol/B1: 2.09132	Sterimol/B2: 3.40353	Sterimol/B3: 5.63331
Sterimol/B4: 8.32213	Sterimol/L: 16.5193

Surface and Volume Properties
Accessible surface: 594.052	Positive charged surface: 428.435	Negative charged surface: 165.617	Volume: 326.375
Hydrophobic surface: 539.029	Hydrophilic surface: 55.023

Pharmacophoric Properties
Hydrogen bond donors: 0	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.