MMsINC Database Search


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MMsINC code: MMs01504790

Type: Neutral
Formula: C₁₇H₁₅F₃N₂O₃

SMILES:

Fc1c(F)c(F)ccc1NC(=O)CNC(=O)c1ccc(OCC)cc1

InChI:

InChI=1/C17H15F3N2O3/c1-2-25-11-5-3-10(4-6-11)17(24)21-9-14(23)22-13-8-7-12(18)15(19)16(13)20/h3-8H,2,9H2,1H3,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.5684 kcal/mol

Physical Properties
Molecular Weight: 352.312 g/mol	logS: -4.78997	SlogP: 2.8711	Reactive groups: 0

Topological Properties
Globularity: 0.0121293	Sterimol/B1: 2.60379	Sterimol/B2: 2.77923	Sterimol/B3: 2.92596
Sterimol/B4: 6.973	Sterimol/L: 19.2361

Surface and Volume Properties
Accessible surface: 593.421	Positive charged surface: 327.253	Negative charged surface: 266.168	Volume: 300.625
Hydrophobic surface: 473.618	Hydrophilic surface: 119.803

Pharmacophoric Properties
Hydrogen bond donors: 2	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.