MMsINC Database Search


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MMsINC code: MMs02075059

Type: Neutral
Formula: C₁₉H₁₅F₃N₂O₂

SMILES:

FC(F)(F)c1cc(ccc1)C(=O)Nc1cc2CCC(=O)N3CCc(c1)c23

InChI:

InChI=1/C19H15F3N2O2/c20-19(21,22)14-3-1-2-13(8-14)18(26)23-15-9-11-4-5-16(25)24-7-6-12(10-15)17(11)24/h1-3,8-10H,4-7H2,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4533 kcal/mol

Physical Properties
Molecular Weight: 360.335 g/mol	logS: -4.75718	SlogP: 4.10444	Reactive groups: 0

Topological Properties
Globularity: 0.0251188	Sterimol/B1: 2.23518	Sterimol/B2: 2.68859	Sterimol/B3: 4.00684
Sterimol/B4: 6.54757	Sterimol/L: 17.6308

Surface and Volume Properties
Accessible surface: 573.439	Positive charged surface: 299.171	Negative charged surface: 274.268	Volume: 307
Hydrophobic surface: 389.006	Hydrophilic surface: 184.433

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.