MMsINC Database Search


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MMsINC code: MMs00720619

Type: Neutral
Formula: C₂₀H₂₀FNO₂

SMILES:

Fc1ccc(OCCCCOc2c3nc(ccc3ccc2)C)cc1

InChI:

InChI=1/C20H20FNO2/c1-15-7-8-16-5-4-6-19(20(16)22-15)24-14-3-2-13-23-18-11-9-17(21)10-12-18/h4-12H,2-3,13-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9382 kcal/mol

Physical Properties
Molecular Weight: 325.383 g/mol	logS: -4.88043	SlogP: 4.92032	Reactive groups: 0

Topological Properties
Globularity: 0.00693145	Sterimol/B1: 1.969	Sterimol/B2: 2.37577	Sterimol/B3: 2.51191
Sterimol/B4: 8.87666	Sterimol/L: 19.6819

Surface and Volume Properties
Accessible surface: 624.712	Positive charged surface: 382.642	Negative charged surface: 236.478	Volume: 321.25
Hydrophobic surface: 599.528	Hydrophilic surface: 25.184

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.