MMsINC Database Search


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MMsINC code: MMs01319524

Type: Neutral
Formula: C₁₇H₁₄F₃NO₃

SMILES:

Fc1c(F)c(F)ccc1NC(=O)COC(=O)c1cccc(C)c1C

InChI:

InChI=1/C17H14F3NO3/c1-9-4-3-5-11(10(9)2)17(23)24-8-14(22)21-13-7-6-12(18)15(19)16(13)20/h3-7H,8H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.537 kcal/mol

Physical Properties
Molecular Weight: 337.297 g/mol	logS: -5.59582	SlogP: 3.51624	Reactive groups: 0

Topological Properties
Globularity: 0.0101628	Sterimol/B1: 2.50203	Sterimol/B2: 2.6649	Sterimol/B3: 3.782
Sterimol/B4: 5.00435	Sterimol/L: 18.2149

Surface and Volume Properties
Accessible surface: 561.172	Positive charged surface: 300.251	Negative charged surface: 260.921	Volume: 288.375
Hydrophobic surface: 488.505	Hydrophilic surface: 72.667

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.