MMsINC Database Search


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MMsINC code: MMs03478983

Type: Neutral
Formula: C₂₆H₂₄FNO₂

SMILES:

Fc1ccccc1C(=O)c1c2c(n(c1)CCCOc1cc(ccc1C)C)cccc2

InChI:

InChI=1/C26H24FNO2/c1-18-12-13-19(2)25(16-18)30-15-7-14-28-17-22(20-8-4-6-11-24(20)28)26(29)21-9-3-5-10-23(21)27/h3-6,8-13,16-17H,7,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.8313 kcal/mol

Physical Properties
Molecular Weight: 401.481 g/mol	logS: -6.61746	SlogP: 6.36374	Reactive groups: 0

Topological Properties
Globularity: 0.110632	Sterimol/B1: 2.18461	Sterimol/B2: 5.53549	Sterimol/B3: 7.58575
Sterimol/B4: 8.16165	Sterimol/L: 17.1137

Surface and Volume Properties
Accessible surface: 716.42	Positive charged surface: 411.854	Negative charged surface: 298.774	Volume: 401.25
Hydrophobic surface: 682.196	Hydrophilic surface: 34.224

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.