MMsINC Database Search


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MMsINC code: MMs01858230

Type: Neutral
Formula: C₂₂H₂₀FN₃O₂

SMILES:

Fc1ccc(cc1)Cn1cc2N(C)C(=O)N(C)C(=O)c2c1-c1ccc(cc1)C

InChI:

InChI=1/C22H20FN3O2/c1-14-4-8-16(9-5-14)20-19-18(24(2)22(28)25(3)21(19)27)13-26(20)12-15-6-10-17(23)11-7-15/h4-11,13H,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.9376 kcal/mol

Physical Properties
Molecular Weight: 377.419 g/mol	logS: -4.99513	SlogP: 4.55912	Reactive groups: 0

Topological Properties
Globularity: 0.152735	Sterimol/B1: 2.53087	Sterimol/B2: 3.89845	Sterimol/B3: 4.40238
Sterimol/B4: 10.2088	Sterimol/L: 13.9312

Surface and Volume Properties
Accessible surface: 610.208	Positive charged surface: 400.993	Negative charged surface: 209.215	Volume: 358
Hydrophobic surface: 529.909	Hydrophilic surface: 80.299

Pharmacophoric Properties
Hydrogen bond donors: 0	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.