MMsINC Database Search


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MMsINC code: MMs03959251

Type: Neutral
Formula: C₂₅H₂₂FNO₂

SMILES:

Fc1ccccc1C(=O)c1c2c(n(c1)CCCOc1ccc(cc1)C)cccc2

InChI:

InChI=1/C25H22FNO2/c1-18-11-13-19(14-12-18)29-16-6-15-27-17-22(20-7-3-5-10-24(20)27)25(28)21-8-2-4-9-23(21)26/h2-5,7-14,17H,6,15-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.0176 kcal/mol

Physical Properties
Molecular Weight: 387.454 g/mol	logS: -6.45699	SlogP: 6.05532	Reactive groups: 0

Topological Properties
Globularity: 0.0558898	Sterimol/B1: 3.46452	Sterimol/B2: 4.33734	Sterimol/B3: 5.58792
Sterimol/B4: 8.17264	Sterimol/L: 18.1341

Surface and Volume Properties
Accessible surface: 691.351	Positive charged surface: 385.984	Negative charged surface: 300.002	Volume: 381.125
Hydrophobic surface: 649.949	Hydrophilic surface: 41.402

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.