MMsINC Database Search


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MMsINC code: MMs01735567

Type: Neutral
Formula: C₁₆H₁₅F₂NO₃

SMILES:

FC(F)Oc1ccccc1NC(=O)COc1cc(ccc1)C

InChI:

InChI=1/C16H15F2NO3/c1-11-5-4-6-12(9-11)21-10-15(20)19-13-7-2-3-8-14(13)22-16(17)18/h2-9,16H,10H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.4061 kcal/mol

Physical Properties
Molecular Weight: 307.296 g/mol	logS: -4.03986	SlogP: 4.03382	Reactive groups: 0

Topological Properties
Globularity: 0.020593	Sterimol/B1: 2.71193	Sterimol/B2: 3.51083	Sterimol/B3: 3.854
Sterimol/B4: 6.0028	Sterimol/L: 16.6795

Surface and Volume Properties
Accessible surface: 550.415	Positive charged surface: 307.698	Negative charged surface: 242.717	Volume: 276.875
Hydrophobic surface: 415.864	Hydrophilic surface: 134.551

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.