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MMsINC code: MMs02456949

Type: Neutral
Formula: C₂₄H₃₂N₄O₄

SMILES:

O=C1c2c(C(=O)c3c1cccc3)c(NCCCNCCO)ccc2NCCCNCCO

InChI:

InChI=1/C24H32N4O4/c29-15-13-25-9-3-11-27-19-7-8-20(28-12-4-10-26-14-16-30)22-21(19)23(31)17-5-1-2-6-18(17)24(22)32/h1-2,5-8,25-30H,3-4,9-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.66 kcal/mol

Physical Properties
Molecular Weight: 440.544 g/mol	logS: -3.01026	SlogP: 1.2298	Reactive groups: 0

Topological Properties
Globularity: 0.010677	Sterimol/B1: 2.42251	Sterimol/B2: 2.83377	Sterimol/B3: 2.95829
Sterimol/B4: 11.6542	Sterimol/L: 24.1468

Surface and Volume Properties
Accessible surface: 798.749	Positive charged surface: 614.71	Negative charged surface: 184.039	Volume: 433.125
Hydrophobic surface: 592.875	Hydrophilic surface: 205.874

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 6	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs02456950
NCID-ZINC05374358