MMsINC Database Search


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MMsINC code: MMs00746268

Type: Neutral
Formula: C₂₆H₂₆N₂O₂

SMILES:

o1c2c(nc1-c1cc(NC(=O)c3cc(C)c(cc3)C)c(cc1)C)cc(cc2)C(C)C

InChI:

InChI=1/C26H26N2O2/c1-15(2)19-10-11-24-23(13-19)28-26(30-24)21-9-7-17(4)22(14-21)27-25(29)20-8-6-16(3)18(5)12-20/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)=114.737 kcal/mol

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

Topological Properties
Globularity: 0.0190105	Sterimol/B1: 3.16286	Sterimol/B2: 3.46199	Sterimol/B3: 4.06493
Sterimol/B4: 9.09733	Sterimol/L: 20.8673

Surface and Volume Properties
Accessible surface: 724.339	Positive charged surface: 441.043	Negative charged surface: 283.296	Volume: 404.375
Hydrophobic surface: 618.262	Hydrophilic surface: 106.077

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.