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MMsINC code: MMs01613957

Type: Tautomer
Formula: C₂₃H₁₇FN₂O₃

SMILES:

Fc1ccc(N\C=C/2\c3c(cccc3)C(=O)N(C\2=O)c2cc(OC)ccc2)cc1

InChI:

InChI=1/C23H17FN2O3/c1-29-18-6-4-5-17(13-18)26-22(27)20-8-3-2-7-19(20)21(23(26)28)14-25-16-11-9-15(24)10-12-16/h2-14,25H,1H3/b21-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=170.782 kcal/mol

Physical Properties
Molecular Weight: 388.398 g/mol	logS: -5.97691	SlogP: 4.4743	Reactive groups: 0

Topological Properties
Globularity: 0.0575101	Sterimol/B1: 2.45756	Sterimol/B2: 3.60497	Sterimol/B3: 5.78825
Sterimol/B4: 8.78098	Sterimol/L: 18.0336

Surface and Volume Properties
Accessible surface: 637.848	Positive charged surface: 346.085	Negative charged surface: 291.763	Volume: 357.25
Hydrophobic surface: 564.817	Hydrophilic surface: 73.031

Pharmacophoric Properties
Hydrogen bond donors: 1	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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Parent related molecule:

MMs01613956
ENAMINE-ZINC05445343