MMsINC Database Search


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MMsINC code: MMs00701808

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(CC)c1ccc(NC(=O)c2cc(nc3c2cccc3)-c2cc(C)c(cc2)C)cc1

InChI:

InChI=1/C26H24N2O2/c1-4-30-21-13-11-20(12-14-21)27-26(29)23-16-25(19-10-9-17(2)18(3)15-19)28-24-8-6-5-7-22(23)24/h5-16H,4H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.611 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -7.66402	SlogP: 6.16964	Reactive groups: 0

Topological Properties
Globularity: 0.0145614	Sterimol/B1: 2.6292	Sterimol/B2: 3.64867	Sterimol/B3: 4.55695
Sterimol/B4: 9.12029	Sterimol/L: 20.7782

Surface and Volume Properties
Accessible surface: 719.643	Positive charged surface: 418.518	Negative charged surface: 289.746	Volume: 397.875
Hydrophobic surface: 638.876	Hydrophilic surface: 80.767

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.