MMsINC Database Search


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MMsINC code: MMs00626351

Type: Neutral
Formula: C₂₁H₂₀FNO

SMILES:

Fc1ccccc1COc1ccccc1CNc1cc(ccc1)C

InChI:

InChI=1/C21H20FNO/c1-16-7-6-10-19(13-16)23-14-17-8-3-5-12-21(17)24-15-18-9-2-4-11-20(18)22/h2-13,23H,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7715 kcal/mol

Physical Properties
Molecular Weight: 321.395 g/mol	logS: -5.53642	SlogP: 5.85802	Reactive groups: 0

Topological Properties
Globularity: 0.121107	Sterimol/B1: 2.37476	Sterimol/B2: 5.98768	Sterimol/B3: 5.99198
Sterimol/B4: 8.11984	Sterimol/L: 14.1814

Surface and Volume Properties
Accessible surface: 596.544	Positive charged surface: 336.501	Negative charged surface: 260.043	Volume: 326.125
Hydrophobic surface: 576.92	Hydrophilic surface: 19.624

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.