MMsINC Database Search


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MMsINC code: MMs01348331

Type: Neutral
Formula: C₂₇H₂₂FNO₂

SMILES:

Fc1ccc(cc1)COc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C27H22FNO2/c28-23-17-15-20(16-18-23)19-31-25-14-8-7-13-24(25)27(30)29-26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18,26H,19H2,(H,29,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.052 kcal/mol

Physical Properties
Molecular Weight: 411.476 g/mol	logS: -7.18007	SlogP: 6.286	Reactive groups: 0

Topological Properties
Globularity: 0.183733	Sterimol/B1: 2.89783	Sterimol/B2: 6.32993	Sterimol/B3: 6.50512
Sterimol/B4: 7.56881	Sterimol/L: 16.4772

Surface and Volume Properties
Accessible surface: 721.844	Positive charged surface: 379.441	Negative charged surface: 342.403	Volume: 403.875
Hydrophobic surface: 694.584	Hydrophilic surface: 27.26

Pharmacophoric Properties
Hydrogen bond donors: 1	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.