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MMsINC code: MMs01395055

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(CC1c2c(-c3c1cccc3)cccc2)C(=O)NCC(=O)N1CCc2c(C1)cccc2

InChI:

InChI=1/C26H24N2O3/c29-25(28-14-13-18-7-1-2-8-19(18)16-28)15-27-26(30)31-17-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h1-12,24H,13-17H2,(H,27,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.6779 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -6.11099	SlogP: 4.37637	Reactive groups: 0

Topological Properties
Globularity: 0.0288694	Sterimol/B1: 3.40477	Sterimol/B2: 3.71788	Sterimol/B3: 4.02971
Sterimol/B4: 7.51826	Sterimol/L: 20.6812

Surface and Volume Properties
Accessible surface: 712.415	Positive charged surface: 429.885	Negative charged surface: 273.826	Volume: 403.125
Hydrophobic surface: 620.866	Hydrophilic surface: 91.549

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.