MMsINC Database Search


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MMsINC code: MMs01377992

Type: Neutral
Formula: C₂₃H₁₇F₂NO₄

SMILES:

Fc1cccc(F)c1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(cc1)C

InChI:

InChI=1/C23H17F2NO4/c1-14-9-11-15(12-10-14)22(28)16-5-2-3-6-17(16)23(29)30-13-20(27)26-21-18(24)7-4-8-19(21)25/h2-12H,13H2,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.476 kcal/mol

Physical Properties
Molecular Weight: 409.388 g/mol	logS: -6.89973	SlogP: 4.29972	Reactive groups: 0

Topological Properties
Globularity: 0.0660598	Sterimol/B1: 2.24684	Sterimol/B2: 2.63771	Sterimol/B3: 5.24897
Sterimol/B4: 10.6766	Sterimol/L: 16.7978

Surface and Volume Properties
Accessible surface: 671.748	Positive charged surface: 361.897	Negative charged surface: 309.851	Volume: 363.625
Hydrophobic surface: 580.557	Hydrophilic surface: 91.191

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.