MMsINC Database Search


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MMsINC code: MMs03702677

Type: Neutral
Formula: C₂₅H₂₂FNO₂

SMILES:

Fc1ccccc1C(=O)c1c2c(n(c1)CCOc1cc(C)c(cc1)C)cccc2

InChI:

InChI=1/C25H22FNO2/c1-17-11-12-19(15-18(17)2)29-14-13-27-16-22(20-7-4-6-10-24(20)27)25(28)21-8-3-5-9-23(21)26/h3-12,15-16H,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.1 kcal/mol

Physical Properties
Molecular Weight: 387.454 g/mol	logS: -6.72914	SlogP: 5.97364	Reactive groups: 0

Topological Properties
Globularity: 0.0878056	Sterimol/B1: 2.41455	Sterimol/B2: 5.50792	Sterimol/B3: 5.58149
Sterimol/B4: 7.9753	Sterimol/L: 16.915

Surface and Volume Properties
Accessible surface: 685.639	Positive charged surface: 377.939	Negative charged surface: 301.765	Volume: 379.625
Hydrophobic surface: 644.53	Hydrophilic surface: 41.109

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.