MMsINC Database Search


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MMsINC code: MMs03357479

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(Cc1ccccc1)c1ccc(cc1OC)\C=N\NC(=O)c1ccc(OCC)cc1

InChI:

InChI=1/C24H24N2O4/c1-3-29-21-12-10-20(11-13-21)24(27)26-25-16-19-9-14-22(23(15-19)28-2)30-17-18-7-5-4-6-8-18/h4-16H,3,17H2,1-2H3,(H,26,27)/b25-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.065 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.7844	SlogP: 4.7032	Reactive groups: 0

Topological Properties
Globularity: 0.0127422	Sterimol/B1: 3.61728	Sterimol/B2: 3.61946	Sterimol/B3: 5.21051
Sterimol/B4: 5.8883	Sterimol/L: 25.4816

Surface and Volume Properties
Accessible surface: 762.577	Positive charged surface: 485.091	Negative charged surface: 277.486	Volume: 399.75
Hydrophobic surface: 640.214	Hydrophilic surface: 122.363

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.