MMsINC Database Search


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MMsINC code: MMs00337885

Type: Neutral
Formula: C₂₁H₂₁FN₂O₂

SMILES:

Fc1ccccc1C(=O)N(CC1=Cc2c(NC1=O)cccc2)C(C)(C)C

InChI:

InChI=1/C21H21FN2O2/c1-21(2,3)24(20(26)16-9-5-6-10-17(16)22)13-15-12-14-8-4-7-11-18(14)23-19(15)25/h4-12H,13H2,1-3H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=268.613 kcal/mol

Physical Properties
Molecular Weight: 352.409 g/mol	logS: -5.33587	SlogP: 4.1021	Reactive groups: 0

Topological Properties
Globularity: 0.0789903	Sterimol/B1: 2.64084	Sterimol/B2: 2.96548	Sterimol/B3: 4.92998
Sterimol/B4: 7.11745	Sterimol/L: 16.2965

Surface and Volume Properties
Accessible surface: 556.507	Positive charged surface: 315.524	Negative charged surface: 240.983	Volume: 328.75
Hydrophobic surface: 441.534	Hydrophilic surface: 114.973

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.