MMsINC Database Search


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MMsINC code: MMs00893122

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O(C(=O)c1cc(n(CC(=O)Nc2cc(C)c(cc2)C)c1C)-c1ccccc1)CC

InChI:

InChI=1/C24H26N2O3/c1-5-29-24(28)21-14-22(19-9-7-6-8-10-19)26(18(21)4)15-23(27)25-20-12-11-16(2)17(3)13-20/h6-14H,5,15H2,1-4H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.985 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -6.08389	SlogP: 5.16216	Reactive groups: 0

Topological Properties
Globularity: 0.0799139	Sterimol/B1: 2.46668	Sterimol/B2: 2.90457	Sterimol/B3: 6.07968
Sterimol/B4: 9.37941	Sterimol/L: 18.8379

Surface and Volume Properties
Accessible surface: 706.574	Positive charged surface: 433.515	Negative charged surface: 273.058	Volume: 393.75
Hydrophobic surface: 615.163	Hydrophilic surface: 91.411

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.