MMsINC Database Search


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MMsINC code: MMs01578992

Type: Neutral
Formula: C₁₈H₁₇F₂NO₃

SMILES:

Fc1cc(F)ccc1NC(=O)COC(=O)c1c(cc(cc1C)C)C

InChI:

InChI=1/C18H17F2NO3/c1-10-6-11(2)17(12(3)7-10)18(23)24-9-16(22)21-15-5-4-13(19)8-14(15)20/h4-8H,9H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.1543 kcal/mol

Physical Properties
Molecular Weight: 333.334 g/mol	logS: -5.77476	SlogP: 3.68556	Reactive groups: 0

Topological Properties
Globularity: 0.0875762	Sterimol/B1: 2.47447	Sterimol/B2: 4.06828	Sterimol/B3: 5.20202
Sterimol/B4: 5.57347	Sterimol/L: 17.76

Surface and Volume Properties
Accessible surface: 592.407	Positive charged surface: 320.616	Negative charged surface: 271.791	Volume: 303.875
Hydrophobic surface: 519.612	Hydrophilic surface: 72.795

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.