MMsINC Database Search


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MMsINC code: MMs01191988

Type: Neutral
Formula: C₂₁H₂₆FN₃O₃

SMILES:

Fc1cc(ccc1)C(=O)Nc1cc(CN(C(=O)C)CCOC)c(N(C)C)cc1

InChI:

InChI=1/C21H26FN3O3/c1-15(26)25(10-11-28-4)14-17-13-19(8-9-20(17)24(2)3)23-21(27)16-6-5-7-18(22)12-16/h5-9,12-13H,10-11,14H2,1-4H3,(H,23,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.082 kcal/mol

Physical Properties
Molecular Weight: 387.455 g/mol	logS: -3.7674	SlogP: 3.4053	Reactive groups: 0

Topological Properties
Globularity: 0.13001	Sterimol/B1: 2.3456	Sterimol/B2: 4.39025	Sterimol/B3: 6.92932
Sterimol/B4: 6.99117	Sterimol/L: 17.1709

Surface and Volume Properties
Accessible surface: 672.36	Positive charged surface: 474.134	Negative charged surface: 198.226	Volume: 376.625
Hydrophobic surface: 600.198	Hydrophilic surface: 72.162

Pharmacophoric Properties
Hydrogen bond donors: 1	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.