MMsINC Database Search


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MMsINC code: MMs00179412

Type: Neutral
Formula: C₂₁H₁₉FN₂O₃

SMILES:

Fc1ccccc1C(=O)c1c2c(n(c1)CC(=O)N1CCOCC1)cccc2

InChI:

InChI=1/C21H19FN2O3/c22-18-7-3-1-6-16(18)21(26)17-13-24(19-8-4-2-5-15(17)19)14-20(25)23-9-11-27-12-10-23/h1-8,13H,9-12,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.5784 kcal/mol

Physical Properties
Molecular Weight: 366.392 g/mol	logS: -4.29464	SlogP: 3.1366	Reactive groups: 0

Topological Properties
Globularity: 0.115101	Sterimol/B1: 2.44766	Sterimol/B2: 3.52556	Sterimol/B3: 3.96734
Sterimol/B4: 10.7867	Sterimol/L: 13.9582

Surface and Volume Properties
Accessible surface: 617.23	Positive charged surface: 383.699	Negative charged surface: 227.752	Volume: 343
Hydrophobic surface: 546.874	Hydrophilic surface: 70.356

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.