MMsINC Database Search


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MMsINC code: MMs01206951

Type: Neutral
Formula: C₂₁H₂₁FN₂O

SMILES:

Fc1ccc(NC(=O)c2n(Cc3cc(ccc3)C)c(cc2C)C)cc1

InChI:

InChI=1/C21H21FN2O/c1-14-5-4-6-17(11-14)13-24-16(3)12-15(2)20(24)21(25)23-19-9-7-18(22)8-10-19/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)=109.269 kcal/mol

Physical Properties
Molecular Weight: 336.41 g/mol	logS: -4.85568	SlogP: 5.11946	Reactive groups: 0

Topological Properties
Globularity: 0.145195	Sterimol/B1: 2.25097	Sterimol/B2: 2.63946	Sterimol/B3: 5.05529
Sterimol/B4: 10.2039	Sterimol/L: 14.6973

Surface and Volume Properties
Accessible surface: 577.919	Positive charged surface: 316.391	Negative charged surface: 261.528	Volume: 334.125
Hydrophobic surface: 536.728	Hydrophilic surface: 41.191

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.