MMsINC Database Search


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MMsINC code: MMs01311220

Type: Neutral
Formula: C₁₈H₁₇F₂NO₃

SMILES:

Fc1cc(NC(=O)COC(=O)C(CC)c2ccccc2)ccc1F

InChI:

InChI=1/C18H17F2NO3/c1-2-14(12-6-4-3-5-7-12)18(23)24-11-17(22)21-13-8-9-15(19)16(20)10-13/h3-10,14H,2,11H2,1H3,(H,21,22)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.8579 kcal/mol

Physical Properties
Molecular Weight: 333.334 g/mol	logS: -5.13146	SlogP: 3.6403	Reactive groups: 0

Topological Properties
Globularity: 0.0413975	Sterimol/B1: 2.37629	Sterimol/B2: 3.46075	Sterimol/B3: 3.96322
Sterimol/B4: 6.64868	Sterimol/L: 18.6681

Surface and Volume Properties
Accessible surface: 580.43	Positive charged surface: 326.677	Negative charged surface: 253.753	Volume: 302.75
Hydrophobic surface: 496.567	Hydrophilic surface: 83.863

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.