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MMsINC code: MMs01644951

Type: Tautomer
Formula: C₂₄H₂₃FN₂O₃

SMILES:

Fc1ccccc1OCC(O)Cn1c2c(nc1COc1ccc(cc1)C)cccc2

InChI:

InChI=1/C24H23FN2O3/c1-17-10-12-19(13-11-17)29-16-24-26-21-7-3-4-8-22(21)27(24)14-18(28)15-30-23-9-5-2-6-20(23)25/h2-13,18,28H,14-16H2,1H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.207 kcal/mol

Physical Properties
Molecular Weight: 406.457 g/mol	logS: -5.75977	SlogP: 5.03552	Reactive groups: 0

Topological Properties
Globularity: 0.107542	Sterimol/B1: 3.72041	Sterimol/B2: 4.19586	Sterimol/B3: 4.96308
Sterimol/B4: 11.3415	Sterimol/L: 15.0479

Surface and Volume Properties
Accessible surface: 703.943	Positive charged surface: 401.59	Negative charged surface: 302.353	Volume: 391.375
Hydrophobic surface: 650.511	Hydrophilic surface: 53.432

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs01644950
ENAMINE-ZINC05902097