MMsINC Database Search


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MMsINC code: MMs03821786

Type: Neutral
Formula: C₂₇H₂₀FNO₂

SMILES:

Fc1ccccc1C(=O)c1c2c(n(c1)CCOc1c3c(ccc1)cccc3)cccc2

InChI:

InChI=1/C27H20FNO2/c28-24-13-5-3-12-22(24)27(30)23-18-29(25-14-6-4-11-21(23)25)16-17-31-26-15-7-9-19-8-1-2-10-20(19)26/h1-15,18H,16-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.275 kcal/mol

Physical Properties
Molecular Weight: 409.46 g/mol	logS: -7.65918	SlogP: 6.51	Reactive groups: 0

Topological Properties
Globularity: 0.104853	Sterimol/B1: 3.47045	Sterimol/B2: 5.27764	Sterimol/B3: 6.04674
Sterimol/B4: 8.28421	Sterimol/L: 17.1553

Surface and Volume Properties
Accessible surface: 705.816	Positive charged surface: 361.526	Negative charged surface: 326.963	Volume: 394.125
Hydrophobic surface: 668.394	Hydrophilic surface: 37.422

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: 0

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Ions/Tautomers related molecules: no related molecules available.