MMsINC Database Search


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MMsINC code: MMs00456465

Type: Neutral
Formula: C₂₀H₂₃FN₂O₂

SMILES:

Fc1ccccc1C(=O)NC(C(C)C)C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C20H23FN2O2/c1-13(2)18(23-19(24)16-6-4-5-7-17(16)21)20(25)22-12-15-10-8-14(3)9-11-15/h4-11,13,18H,12H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0214 kcal/mol

Physical Properties
Molecular Weight: 342.414 g/mol	logS: -4.97113	SlogP: 3.47132	Reactive groups: 0

Topological Properties
Globularity: 0.0640385	Sterimol/B1: 2.87381	Sterimol/B2: 3.58654	Sterimol/B3: 5.00744
Sterimol/B4: 5.84265	Sterimol/L: 19.2848

Surface and Volume Properties
Accessible surface: 620.238	Positive charged surface: 363.44	Negative charged surface: 256.799	Volume: 340.625
Hydrophobic surface: 525.443	Hydrophilic surface: 94.795

Pharmacophoric Properties
Hydrogen bond donors: 2	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.