MMsINC Database Search


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MMsINC code: MMs01125133

Type: Neutral
Formula: C₁₉H₂₂FN₃O₃

SMILES:

Fc1ccccc1N1CCN(CC1)C(=O)CCNC(=O)c1ccoc1C

InChI:

InChI=1/C19H22FN3O3/c1-14-15(7-13-26-14)19(25)21-8-6-18(24)23-11-9-22(10-12-23)17-5-3-2-4-16(17)20/h2-5,7,13H,6,8-12H2,1H3,(H,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.889 kcal/mol

Physical Properties
Molecular Weight: 359.401 g/mol	logS: -3.55712	SlogP: 2.19582	Reactive groups: 0

Topological Properties
Globularity: 0.0455458	Sterimol/B1: 3.337	Sterimol/B2: 3.81912	Sterimol/B3: 4.85204
Sterimol/B4: 5.70142	Sterimol/L: 20.0217

Surface and Volume Properties
Accessible surface: 636.815	Positive charged surface: 395.212	Negative charged surface: 241.603	Volume: 338.875
Hydrophobic surface: 548.136	Hydrophilic surface: 88.679

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.