MMsINC Database Search


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MMsINC code: MMs01553644

Type: Neutral
Formula: C₁₉H₁₉F₂NO₃

SMILES:

Fc1cc(F)ccc1C(NC(=O)COC(=O)c1ccc(cc1C)C)C

InChI:

InChI=1/C19H19F2NO3/c1-11-4-6-15(12(2)8-11)19(24)25-10-18(23)22-13(3)16-7-5-14(20)9-17(16)21/h4-9,13H,10H2,1-3H3,(H,22,23)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0501 kcal/mol

Physical Properties
Molecular Weight: 347.361 g/mol	logS: -5.57209	SlogP: 3.71134	Reactive groups: 0

Topological Properties
Globularity: 0.0295181	Sterimol/B1: 2.74129	Sterimol/B2: 2.78297	Sterimol/B3: 4.36174
Sterimol/B4: 6.00277	Sterimol/L: 19.5358

Surface and Volume Properties
Accessible surface: 611.03	Positive charged surface: 344.354	Negative charged surface: 266.676	Volume: 322.5
Hydrophobic surface: 527.178	Hydrophilic surface: 83.852

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.