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MMsINC code: MMs00328250

Type: Neutral
Formula: C₂₂H₂₆N₄O₄

SMILES:

O(C)c1ccc(cc1)C(=O)N1CCN(CC1)CCNC(=O)C(=O)Nc1ccccc1

InChI:

InChI=1/C22H26N4O4/c1-30-19-9-7-17(8-10-19)22(29)26-15-13-25(14-16-26)12-11-23-20(27)21(28)24-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,27)(H,24,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.461 kcal/mol

Physical Properties
Molecular Weight: 410.474 g/mol	logS: -3.69113	SlogP: 1.2079	Reactive groups: 0

Topological Properties
Globularity: 0.0411635	Sterimol/B1: 2.46341	Sterimol/B2: 3.62193	Sterimol/B3: 4.39618
Sterimol/B4: 9.13047	Sterimol/L: 22.4753

Surface and Volume Properties
Accessible surface: 717.333	Positive charged surface: 498.188	Negative charged surface: 219.145	Volume: 392.125
Hydrophobic surface: 575.953	Hydrophilic surface: 141.38

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00328251
ASINEX-ZINC04380079