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MMsINC code: MMs00395791

Type: Neutral
Formula: C₂₁H₂₄N₂O₄

SMILES:

O(C)c1cc(ccc1)C(=O)N1CCN(CC1)CC(=O)c1ccc(OC)cc1

InChI:

InChI=1/C21H24N2O4/c1-26-18-8-6-16(7-9-18)20(24)15-22-10-12-23(13-11-22)21(25)17-4-3-5-19(14-17)27-2/h3-9,14H,10-13,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.893 kcal/mol

Physical Properties
Molecular Weight: 368.433 g/mol	logS: -3.67176	SlogP: 2.3445	Reactive groups: 0

Topological Properties
Globularity: 0.0453846	Sterimol/B1: 2.77482	Sterimol/B2: 3.37356	Sterimol/B3: 4.46885
Sterimol/B4: 6.64195	Sterimol/L: 20.6627

Surface and Volume Properties
Accessible surface: 652.995	Positive charged surface: 472.364	Negative charged surface: 180.631	Volume: 357.5
Hydrophobic surface: 572.805	Hydrophilic surface: 80.19

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

MMs00395792
ASINEX-ZINC04891142