MMsINC Database Search


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MMsINC code: MMs01935744

Type: Neutral
Formula: C₂₀H₁₈FNO₂

SMILES:

Fc1ccc(cc1)-c1cc-2n(c1)CCc1cc(OC)c(OC)cc1-2

InChI:

InChI=1/C20H18FNO2/c1-23-19-10-14-7-8-22-12-15(13-3-5-16(21)6-4-13)9-18(22)17(14)11-20(19)24-2/h3-6,9-12H,7-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.572 kcal/mol

Physical Properties
Molecular Weight: 323.367 g/mol	logS: -5.12328	SlogP: 4.80087	Reactive groups: 0

Topological Properties
Globularity: 0.0137998	Sterimol/B1: 2.76097	Sterimol/B2: 3.12248	Sterimol/B3: 4.72536
Sterimol/B4: 6.73096	Sterimol/L: 17.966

Surface and Volume Properties
Accessible surface: 575.962	Positive charged surface: 379.53	Negative charged surface: 196.432	Volume: 310.5
Hydrophobic surface: 536.044	Hydrophilic surface: 39.918

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.