MMsINC Database Search


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MMsINC code: MMs01719700

Type: Neutral
Formula: C₁₈H₁₇F₂NO₄

SMILES:

Fc1ccc(F)cc1NC(=O)COC(=O)COc1cc(C)c(cc1)C

InChI:

InChI=1/C18H17F2NO4/c1-11-3-5-14(7-12(11)2)24-10-18(23)25-9-17(22)21-16-8-13(19)4-6-15(16)20/h3-8H,9-10H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.7808 kcal/mol

Physical Properties
Molecular Weight: 349.333 g/mol	logS: -5.37766	SlogP: 3.14234	Reactive groups: 1

Topological Properties
Globularity: 0.00935626	Sterimol/B1: 2.53506	Sterimol/B2: 2.90401	Sterimol/B3: 2.99168
Sterimol/B4: 5.45555	Sterimol/L: 20.3487

Surface and Volume Properties
Accessible surface: 618.09	Positive charged surface: 344.565	Negative charged surface: 273.526	Volume: 311.125
Hydrophobic surface: 519.967	Hydrophilic surface: 98.123

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.