MMsINC Database Search


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MMsINC code: MMs01371662

Type: Neutral
Formula: C₂₁H₂₃FN₂O₂

SMILES:

Fc1ccccc1CN1C(=O)C(NC1=O)(C)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C21H23FN2O2/c1-20(2,3)15-9-11-16(12-10-15)21(4)18(25)24(19(26)23-21)13-14-7-5-6-8-17(14)22/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)=68.6923 kcal/mol

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

Topological Properties
Globularity: 0.0832923	Sterimol/B1: 1.99991	Sterimol/B2: 3.71354	Sterimol/B3: 4.32056
Sterimol/B4: 6.3345	Sterimol/L: 17.8109

Surface and Volume Properties
Accessible surface: 595.199	Positive charged surface: 354.471	Negative charged surface: 240.728	Volume: 344.375
Hydrophobic surface: 450.759	Hydrophilic surface: 144.44

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.