MMsINC Database Search


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MMsINC code: MMs01350432

Type: Neutral
Formula: C₂₄H₂₆N₂O₄

SMILES:

O(CC(=O)Nc1ccccc1OCC)c1ccccc1CNc1cc(OC)ccc1

InChI:

InChI=1/C24H26N2O4/c1-3-29-23-14-7-5-12-21(23)26-24(27)17-30-22-13-6-4-9-18(22)16-25-19-10-8-11-20(15-19)28-2/h4-15,25H,3,16-17H2,1-2H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.952 kcal/mol

Physical Properties
Molecular Weight: 406.482 g/mol	logS: -5.42402	SlogP: 4.9899	Reactive groups: 0

Topological Properties
Globularity: 0.0968614	Sterimol/B1: 2.30046	Sterimol/B2: 6.52072	Sterimol/B3: 6.79353
Sterimol/B4: 7.50232	Sterimol/L: 17.7164

Surface and Volume Properties
Accessible surface: 746.534	Positive charged surface: 506.923	Negative charged surface: 239.611	Volume: 400.75
Hydrophobic surface: 651.314	Hydrophilic surface: 95.22

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.