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MMsINC code: MMs00415752

Type: Neutral
Formula: C₂₃H₂₈N₂O₄

SMILES:

O(C)c1cc(NC(=O)CN2CCC(CC2)C(=O)c2ccc(cc2)C)ccc1OC

InChI:

InChI=1/C23H28N2O4/c1-16-4-6-17(7-5-16)23(27)18-10-12-25(13-11-18)15-22(26)24-19-8-9-20(28-2)21(14-19)29-3/h4-9,14,18H,10-13,15H2,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.174 kcal/mol

Physical Properties
Molecular Weight: 396.487 g/mol	logS: -4.46765	SlogP: 3.54562	Reactive groups: 0

Topological Properties
Globularity: 0.0818427	Sterimol/B1: 3.14438	Sterimol/B2: 3.2793	Sterimol/B3: 5.95726
Sterimol/B4: 7.40895	Sterimol/L: 20.351

Surface and Volume Properties
Accessible surface: 712.491	Positive charged surface: 521.639	Negative charged surface: 190.851	Volume: 392.75
Hydrophobic surface: 630.793	Hydrophilic surface: 81.698

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

MMs00415753
ASINEX-ZINC04966929