MMsINC Database Search


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MMsINC code: MMs01061612

Type: Neutral
Formula: C₂₄H₂₀FN₃O₃

SMILES:

Fc1ccc(NC(=O)c2cc3c(nc2C)C=CN(Cc2ccc(OC)cc2)C3=O)cc1

InChI:

InChI=1/C24H20FN3O3/c1-15-20(23(29)27-18-7-5-17(25)6-8-18)13-21-22(26-15)11-12-28(24(21)30)14-16-3-9-19(31-2)10-4-16/h3-13H,14H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.151 kcal/mol

Physical Properties
Molecular Weight: 417.44 g/mol	logS: -5.11141	SlogP: 4.68312	Reactive groups: 0

Topological Properties
Globularity: 0.0759958	Sterimol/B1: 2.54956	Sterimol/B2: 3.17334	Sterimol/B3: 5.67934
Sterimol/B4: 8.20491	Sterimol/L: 20.1362

Surface and Volume Properties
Accessible surface: 681.169	Positive charged surface: 412.667	Negative charged surface: 268.501	Volume: 386.875
Hydrophobic surface: 594.54	Hydrophilic surface: 86.629

Pharmacophoric Properties
Hydrogen bond donors: 1	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.