MMsINC Database Search


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MMsINC code: MMs01081728

Type: Neutral
Formula: C₂₆H₂₆N₂O₂

SMILES:

o1c2c(nc1-c1cc(NC(=O)c3ccc(cc3C)C)c(cc1)C)cc(cc2)C(C)C

InChI:

InChI=1/C26H26N2O2/c1-15(2)19-9-11-24-23(13-19)28-26(30-24)20-8-7-17(4)22(14-20)27-25(29)21-10-6-16(3)12-18(21)5/h6-15H,1-5H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.022 kcal/mol

Physical Properties
Molecular Weight: 398.506 g/mol	logS: -9.28321	SlogP: 6.79576	Reactive groups: 0

Topological Properties
Globularity: 0.0233908	Sterimol/B1: 2.56534	Sterimol/B2: 3.19053	Sterimol/B3: 3.96611
Sterimol/B4: 9.03426	Sterimol/L: 21.1206

Surface and Volume Properties
Accessible surface: 726.518	Positive charged surface: 451.505	Negative charged surface: 275.012	Volume: 404.625
Hydrophobic surface: 625.583	Hydrophilic surface: 100.935

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.