MMsINC Database Search


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MMsINC code: MMs01177234

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(CC(=O)N(Cc1ccc(cc1)-c1ccccc1)Cc1nc2c(cc1)cccc2)C

InChI:

InChI=1/C26H24N2O2/c1-30-19-26(29)28(18-24-16-15-23-9-5-6-10-25(23)27-24)17-20-11-13-22(14-12-20)21-7-3-2-4-8-21/h2-16H,17-19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.417 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -6.5034	SlogP: 5.6098	Reactive groups: 0

Topological Properties
Globularity: 0.0401063	Sterimol/B1: 2.48217	Sterimol/B2: 2.77802	Sterimol/B3: 4.51769
Sterimol/B4: 9.88134	Sterimol/L: 20.8171

Surface and Volume Properties
Accessible surface: 685.378	Positive charged surface: 400.256	Negative charged surface: 269.269	Volume: 403.875
Hydrophobic surface: 626.086	Hydrophilic surface: 59.292

Pharmacophoric Properties
Hydrogen bond donors: 0	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.