MMsINC Database Search


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MMsINC code: MMs01024818

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

o1cccc1CNCc1c2c(n(Cc3ccc(cc3)C)c1C(O)=O)cc(OC)cc2

InChI:

InChI=1/C24H24N2O4/c1-16-5-7-17(8-6-16)15-26-22-12-18(29-2)9-10-20(22)21(23(26)24(27)28)14-25-13-19-4-3-11-30-19/h3-12,25H,13-15H2,1-2H3,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.6956 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.24328	SlogP: 5.38682	Reactive groups: 0

Topological Properties
Globularity: 0.0739783	Sterimol/B1: 2.39126	Sterimol/B2: 3.36111	Sterimol/B3: 5.28713
Sterimol/B4: 10.2034	Sterimol/L: 18.6758

Surface and Volume Properties
Accessible surface: 700.594	Positive charged surface: 429.632	Negative charged surface: 265.541	Volume: 394.25
Hydrophobic surface: 576.181	Hydrophilic surface: 124.413

Pharmacophoric Properties
Hydrogen bond donors: 3	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.