MMsINC Database Search


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MMsINC code: MMs00476649

Type: Neutral
Formula: C₂₀H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)C(NC(=O)c1ccc(cc1)C)C(C)C

InChI:

InChI=1/C20H23FN2O2/c1-13(2)18(23-19(24)16-8-4-14(3)5-9-16)20(25)22-12-15-6-10-17(21)11-7-15/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)=70.3682 kcal/mol

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

Topological Properties
Globularity: 0.0667643	Sterimol/B1: 2.80955	Sterimol/B2: 3.34573	Sterimol/B3: 4.25104
Sterimol/B4: 6.81017	Sterimol/L: 19.7577

Surface and Volume Properties
Accessible surface: 621.241	Positive charged surface: 363.271	Negative charged surface: 257.969	Volume: 339
Hydrophobic surface: 521.582	Hydrophilic surface: 99.659

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.