MMsINC Database Search


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MMsINC code: MMs01179127

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O1CCOc2c1cc(cc2)C(=O)N(Cc1ccccc1)Cc1n(c2c(c1)cccc2)C

InChI:

InChI=1/C26H24N2O3/c1-27-22(15-20-9-5-6-10-23(20)27)18-28(17-19-7-3-2-4-8-19)26(29)21-11-12-24-25(16-21)31-14-13-30-24/h2-12,15-16H,13-14,17-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=196.708 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -5.54725	SlogP: 5.6841	Reactive groups: 0

Topological Properties
Globularity: 0.0748902	Sterimol/B1: 2.66545	Sterimol/B2: 4.70836	Sterimol/B3: 7.48559
Sterimol/B4: 8.0619	Sterimol/L: 16.4302

Surface and Volume Properties
Accessible surface: 673.797	Positive charged surface: 420.868	Negative charged surface: 246.663	Volume: 401.375
Hydrophobic surface: 612.643	Hydrophilic surface: 61.154

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: 0

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Ions/Tautomers related molecules: no related molecules available.