MMsINC Database Search


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MMsINC code: MMs03803599

Type: Neutral
Formula: C₂₆H₂₈N₂O₂

SMILES:

O(C)c1ccccc1NC1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H28N2O2/c1-30-24-15-9-8-14-23(24)27-22-16-18-28(19-17-22)26(29)25(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,22,25,27H,16-19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.558 kcal/mol

Physical Properties
Molecular Weight: 400.522 g/mol	logS: -5.32251	SlogP: 4.9302	Reactive groups: 0

Topological Properties
Globularity: 0.112866	Sterimol/B1: 2.53792	Sterimol/B2: 4.64433	Sterimol/B3: 5.96424
Sterimol/B4: 6.15613	Sterimol/L: 18.7744

Surface and Volume Properties
Accessible surface: 697.553	Positive charged surface: 469.676	Negative charged surface: 227.877	Volume: 410.375
Hydrophobic surface: 660.586	Hydrophilic surface: 36.967

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.