MMsINC Database Search


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MMsINC code: MMs01654045

Type: Neutral
Formula: C₂₁H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)CN1C(=O)C(NC1=O)(C)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C21H23FN2O2/c1-20(2,3)15-7-9-16(10-8-15)21(4)18(25)24(19(26)23-21)13-14-5-11-17(22)12-6-14/h5-12H,13H2,1-4H3,(H,23,26)/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.475 kcal/mol

Physical Properties
Molecular Weight: 354.425 g/mol	logS: -6.21206	SlogP: 4.6683	Reactive groups: 0

Topological Properties
Globularity: 0.078452	Sterimol/B1: 1.9708	Sterimol/B2: 3.31068	Sterimol/B3: 4.68216
Sterimol/B4: 6.28756	Sterimol/L: 18.0616

Surface and Volume Properties
Accessible surface: 601.408	Positive charged surface: 347.634	Negative charged surface: 253.775	Volume: 344.875
Hydrophobic surface: 454.227	Hydrophilic surface: 147.181

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.