MMsINC Database Search


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MMsINC code: MMs01148127

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(C)c1ccccc1-n1c(cc(C(=O)NCc2ccccc2)c1C)-c1ccccc1

InChI:

InChI=1/C26H24N2O2/c1-19-22(26(29)27-18-20-11-5-3-6-12-20)17-24(21-13-7-4-8-14-21)28(19)23-15-9-10-16-25(23)30-2/h3-17H,18H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.772 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -6.21895	SlogP: 5.65772	Reactive groups: 0

Topological Properties
Globularity: 0.103083	Sterimol/B1: 2.07066	Sterimol/B2: 3.68864	Sterimol/B3: 6.01071
Sterimol/B4: 9.87581	Sterimol/L: 17.9961

Surface and Volume Properties
Accessible surface: 699.328	Positive charged surface: 427.502	Negative charged surface: 271.826	Volume: 402.5
Hydrophobic surface: 650.404	Hydrophilic surface: 48.924

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.