MMsINC Database Search


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MMsINC code: MMs02091015

Type: Neutral
Formula: C₂₄H₂₃FN₂O₄

SMILES:

Fc1ccccc1-c1c(C(OCC)=O)c([nH]c1C(=O)C(=O)N(CC)c1ccccc1)C

InChI:

InChI=1/C24H23FN2O4/c1-4-27(16-11-7-6-8-12-16)23(29)22(28)21-20(17-13-9-10-14-18(17)25)19(15(3)26-21)24(30)31-5-2/h6-14,26H,4-5H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.866 kcal/mol

Physical Properties
Molecular Weight: 422.456 g/mol	logS: -6.24727	SlogP: 4.54172	Reactive groups: 0

Topological Properties
Globularity: 0.0589197	Sterimol/B1: 3.3473	Sterimol/B2: 4.1369	Sterimol/B3: 4.19916
Sterimol/B4: 8.31221	Sterimol/L: 18.9293

Surface and Volume Properties
Accessible surface: 699.906	Positive charged surface: 418.226	Negative charged surface: 281.68	Volume: 394.875
Hydrophobic surface: 583.657	Hydrophilic surface: 116.249

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.