MMsINC Database Search


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MMsINC code: MMs01305137

Type: Neutral
Formula: C₂₃H₁₇FN₂O₄

SMILES:

Fc1ccc(cc1)C(=O)N(CN1C(=O)c2c(cccc2)C1=O)c1cc(OC)ccc1

InChI:

InChI=1/C23H17FN2O4/c1-30-18-6-4-5-17(13-18)25(21(27)15-9-11-16(24)12-10-15)14-26-22(28)19-7-2-3-8-20(19)23(26)29/h2-13H,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=220.431 kcal/mol

Physical Properties
Molecular Weight: 404.397 g/mol	logS: -5.64393	SlogP: 3.7348	Reactive groups: 0

Topological Properties
Globularity: 0.143204	Sterimol/B1: 3.1392	Sterimol/B2: 5.46618	Sterimol/B3: 6.41147
Sterimol/B4: 7.47074	Sterimol/L: 14.5019

Surface and Volume Properties
Accessible surface: 621.948	Positive charged surface: 342.092	Negative charged surface: 279.856	Volume: 356.625
Hydrophobic surface: 532.717	Hydrophilic surface: 89.231

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.