MMsINC Database Search


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MMsINC code: MMs02751663

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(C)c1ccc(cc1)-c1nc2c(cc(cc2C)C)c(c1)C(=O)Nc1ccc(OC)cc1

InChI:

InChI=1/C26H24N2O3/c1-16-13-17(2)25-22(14-16)23(26(29)27-19-7-11-21(31-4)12-8-19)15-24(28-25)18-5-9-20(30-3)10-6-18/h5-15H,1-4H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.09 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -7.07374	SlogP: 5.78814	Reactive groups: 0

Topological Properties
Globularity: 0.0139312	Sterimol/B1: 2.29118	Sterimol/B2: 2.63404	Sterimol/B3: 3.11767
Sterimol/B4: 13.6559	Sterimol/L: 18.5221

Surface and Volume Properties
Accessible surface: 721.292	Positive charged surface: 459.573	Negative charged surface: 250.817	Volume: 406.375
Hydrophobic surface: 654.665	Hydrophilic surface: 66.627

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.