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MMsINC code: MMs01721775

Type: Tautomer
Formula: C₂₄H₂₅N₃O₃

SMILES:

O(C)c1ccc(NC(=O)c2ccccc2NC(=O)CN(Cc2ccccc2)C)cc1

InChI:

InChI=1/C24H25N3O3/c1-27(16-18-8-4-3-5-9-18)17-23(28)26-22-11-7-6-10-21(22)24(29)25-19-12-14-20(30-2)15-13-19/h3-15H,16-17H2,1-2H3,(H,25,29)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.529 kcal/mol

Physical Properties
Molecular Weight: 403.482 g/mol	logS: -5.27313	SlogP: 4.2844	Reactive groups: 0

Topological Properties
Globularity: 0.030371	Sterimol/B1: 2.06925	Sterimol/B2: 4.95295	Sterimol/B3: 6.1472
Sterimol/B4: 7.80112	Sterimol/L: 20.377

Surface and Volume Properties
Accessible surface: 722.526	Positive charged surface: 478.852	Negative charged surface: 243.674	Volume: 396.375
Hydrophobic surface: 650.119	Hydrophilic surface: 72.407

Pharmacophoric Properties
Hydrogen bond donors: 2	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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Parent related molecule:

MMs01721774
ENAMINE-ZINC07061439