MMsINC Database Search


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MMsINC code: MMs02124475

Type: Neutral
Formula: C₁₆H₂₂F₂N₂O

SMILES:

Fc1cc(F)ccc1NC(=O)N(C(C)C)C1CCCCC1

InChI:

InChI=1/C16H22F2N2O/c1-11(2)20(13-6-4-3-5-7-13)16(21)19-15-9-8-12(17)10-14(15)18/h8-11,13H,3-7H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.8645 kcal/mol

Physical Properties
Molecular Weight: 296.361 g/mol	logS: -4.03772	SlogP: 4.5398	Reactive groups: 0

Topological Properties
Globularity: 0.128002	Sterimol/B1: 2.36647	Sterimol/B2: 2.79037	Sterimol/B3: 5.16735
Sterimol/B4: 7.27793	Sterimol/L: 13.7968

Surface and Volume Properties
Accessible surface: 522.109	Positive charged surface: 326.604	Negative charged surface: 195.505	Volume: 285.25
Hydrophobic surface: 469.936	Hydrophilic surface: 52.173

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.