MMsINC Database Search


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MMsINC code: MMs01671712

Type: Neutral
Formula: C₂₀H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)NC(C(C)C)C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C20H23FN2O2/c1-13(2)18(23-19(24)16-8-10-17(21)11-9-16)20(25)22-12-15-6-4-14(3)5-7-15/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)=66.9819 kcal/mol

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

Topological Properties
Globularity: 0.069697	Sterimol/B1: 3.11607	Sterimol/B2: 3.38745	Sterimol/B3: 4.61463
Sterimol/B4: 6.26368	Sterimol/L: 19.5992

Surface and Volume Properties
Accessible surface: 621.882	Positive charged surface: 359.091	Negative charged surface: 262.792	Volume: 340.375
Hydrophobic surface: 518.868	Hydrophilic surface: 103.014

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.