MMsINC Database Search


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MMsINC code: MMs01945248

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O1CCOC12CCN(CC2)C(=O)c1cc(nc2c1cccc2)-c1ccc(OC)cc1

InChI:

InChI=1/C24H24N2O4/c1-28-18-8-6-17(7-9-18)22-16-20(19-4-2-3-5-21(19)25-22)23(27)26-12-10-24(11-13-26)29-14-15-30-24/h2-9,16H,10-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.408 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.50158	SlogP: 3.8895	Reactive groups: 0

Topological Properties
Globularity: 0.0770215	Sterimol/B1: 2.11628	Sterimol/B2: 3.88967	Sterimol/B3: 4.02384
Sterimol/B4: 11.9523	Sterimol/L: 16.1635

Surface and Volume Properties
Accessible surface: 671.339	Positive charged surface: 458.776	Negative charged surface: 201.965	Volume: 384.125
Hydrophobic surface: 598.617	Hydrophilic surface: 72.722

Pharmacophoric Properties
Hydrogen bond donors: 0	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.