MMsINC Database Search


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MMsINC code: MMs00357528

Type: Neutral
Formula: C₂₂H₂₇F₂NO

SMILES:

FC(F)Oc1ccc(cc1)-c1ncc(cc1)C1CCC(CC1)CCCC

InChI:

InChI=1/C22H27F2NO/c1-2-3-4-16-5-7-17(8-6-16)19-11-14-21(25-15-19)18-9-12-20(13-10-18)26-22(23)24/h9-17,22H,2-8H2,1H3/t16-,17-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.4789 kcal/mol

Physical Properties
Molecular Weight: 359.46 g/mol	logS: -7.35158	SlogP: 7.2339	Reactive groups: 0

Topological Properties
Globularity: 0.0316171	Sterimol/B1: 2.50891	Sterimol/B2: 2.81776	Sterimol/B3: 4.75499
Sterimol/B4: 5.45617	Sterimol/L: 22.8004

Surface and Volume Properties
Accessible surface: 641.49	Positive charged surface: 422.328	Negative charged surface: 215.253	Volume: 359.125
Hydrophobic surface: 518.196	Hydrophilic surface: 123.294

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.