MMsINC Database Search


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MMsINC code: MMs02618544

Type: Neutral
Formula: C₂₂H₁₉FN₂O₄

SMILES:

Fc1ccccc1COC(=O)c1ccccc1NC(=O)Nc1ccc(OC)cc1

InChI:

InChI=1/C22H19FN2O4/c1-28-17-12-10-16(11-13-17)24-22(27)25-20-9-5-3-7-18(20)21(26)29-14-15-6-2-4-8-19(15)23/h2-13H,14H2,1H3,(H2,24,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0779 kcal/mol

Physical Properties
Molecular Weight: 394.402 g/mol	logS: -5.74704	SlogP: 5.1017	Reactive groups: 0

Topological Properties
Globularity: 0.0192634	Sterimol/B1: 3.60266	Sterimol/B2: 3.62497	Sterimol/B3: 3.91826
Sterimol/B4: 7.68771	Sterimol/L: 22.2674

Surface and Volume Properties
Accessible surface: 672.033	Positive charged surface: 403.335	Negative charged surface: 268.698	Volume: 362.75
Hydrophobic surface: 580.243	Hydrophilic surface: 91.79

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.