MMsINC Database Search


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MMsINC code: MMs00510518

Type: Neutral
Formula: C₂₀H₁₇FN₂O₄

SMILES:

Fc1ccccc1COc1cc(ccc1)C=C1C(=O)N(C)C(=O)N(C)C1=O

InChI:

InChI=1/C20H17FN2O4/c1-22-18(24)16(19(25)23(2)20(22)26)11-13-6-5-8-15(10-13)27-12-14-7-3-4-9-17(14)21/h3-11H,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.0182 kcal/mol

Physical Properties
Molecular Weight: 368.364 g/mol	logS: -4.71238	SlogP: 3.1049	Reactive groups: 0

Topological Properties
Globularity: 0.0588448	Sterimol/B1: 2.48965	Sterimol/B2: 3.64381	Sterimol/B3: 5.03791
Sterimol/B4: 7.43653	Sterimol/L: 17.6137

Surface and Volume Properties
Accessible surface: 612.163	Positive charged surface: 382.209	Negative charged surface: 229.954	Volume: 331.75
Hydrophobic surface: 522.577	Hydrophilic surface: 89.586

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.