MMsINC Database Search


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MMsINC code: MMs01242308

Type: Neutral
Formula: C₂₄H₁₉FN₂O₄

SMILES:

Fc1ccc(cc1)C(=O)N(CCN1C(=O)c2c(cccc2)C1=O)c1cc(OC)ccc1

InChI:

InChI=1/C24H19FN2O4/c1-31-19-6-4-5-18(15-19)26(22(28)16-9-11-17(25)12-10-16)13-14-27-23(29)20-7-2-3-8-21(20)24(27)30/h2-12,15H,13-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=179.429 kcal/mol

Physical Properties
Molecular Weight: 418.424 g/mol	logS: -5.93843	SlogP: 3.7773	Reactive groups: 0

Topological Properties
Globularity: 0.0279671	Sterimol/B1: 2.54395	Sterimol/B2: 3.38804	Sterimol/B3: 3.99727
Sterimol/B4: 9.23067	Sterimol/L: 18.3981

Surface and Volume Properties
Accessible surface: 644.819	Positive charged surface: 367.322	Negative charged surface: 277.497	Volume: 376.625
Hydrophobic surface: 557.395	Hydrophilic surface: 87.424

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.