MMsINC Database Search


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MMsINC code: MMs00959345

Type: Neutral
Formula: C₂₀H₁₉FN₂O₄

SMILES:

Fc1ccccc1NC(=O)C=1c2c(cc(OC)c(OC)c2)C(=O)N(C=1)CC

InChI:

InChI=1/C20H19FN2O4/c1-4-23-11-14(19(24)22-16-8-6-5-7-15(16)21)12-9-17(26-2)18(27-3)10-13(12)20(23)25/h5-11H,4H2,1-3H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.187 kcal/mol

Physical Properties
Molecular Weight: 370.38 g/mol	logS: -4.54896	SlogP: 3.2982	Reactive groups: 0

Topological Properties
Globularity: 0.0255194	Sterimol/B1: 2.03888	Sterimol/B2: 2.57239	Sterimol/B3: 3.48141
Sterimol/B4: 11.4944	Sterimol/L: 16.9236

Surface and Volume Properties
Accessible surface: 605.865	Positive charged surface: 408.863	Negative charged surface: 197.002	Volume: 338.25
Hydrophobic surface: 516.137	Hydrophilic surface: 89.728

Pharmacophoric Properties
Hydrogen bond donors: 1	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.