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MMsINC code: MMs01644953

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.043 kcal/mol

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

Topological Properties
Globularity: 0.102628	Sterimol/B1: 2.28768	Sterimol/B2: 3.72069	Sterimol/B3: 4.17807
Sterimol/B4: 12.2128	Sterimol/L: 16.0802

Surface and Volume Properties
Accessible surface: 711.383	Positive charged surface: 400.83	Negative charged surface: 310.553	Volume: 388.75
Hydrophobic surface: 641.25	Hydrophilic surface: 70.133

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

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Parent related molecule:

MMs01644952
ENAMINE-ZINC05902106