MMsINC Database Search


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MMsINC code: MMs02610473

Type: Neutral
Formula: C₁₈H₁₅FN₂O₃

SMILES:

Fc1ccc(cc1)-c1cnc(Oc2c(OC)cccc2OC)nc1

InChI:

InChI=1/C18H15FN2O3/c1-22-15-4-3-5-16(23-2)17(15)24-18-20-10-13(11-21-18)12-6-8-14(19)9-7-12/h3-11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.28 kcal/mol

Physical Properties
Molecular Weight: 326.327 g/mol	logS: -5.49431	SlogP: 4.0922	Reactive groups: 0

Topological Properties
Globularity: 0.103809	Sterimol/B1: 2.35249	Sterimol/B2: 3.85887	Sterimol/B3: 4.52204
Sterimol/B4: 9.50708	Sterimol/L: 15.9052

Surface and Volume Properties
Accessible surface: 579.916	Positive charged surface: 379.072	Negative charged surface: 189.773	Volume: 299.625
Hydrophobic surface: 543.431	Hydrophilic surface: 36.485

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.