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MMsINC code: MMs01189734

Type: Neutral
Formula: C₂₄H₂₆N₄O₂

SMILES:

O1CCN(CC1)c1ncc(cc1)C(=O)N(Cc1ncccc1)CCc1ccccc1

InChI:

InChI=1/C24H26N4O2/c29-24(21-9-10-23(26-18-21)27-14-16-30-17-15-27)28(19-22-8-4-5-12-25-22)13-11-20-6-2-1-3-7-20/h1-10,12,18H,11,13-17,19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=224.989 kcal/mol

Physical Properties
Molecular Weight: 402.498 g/mol	logS: -3.18908	SlogP: 3.46467	Reactive groups: 0

Topological Properties
Globularity: 0.0942403	Sterimol/B1: 2.30774	Sterimol/B2: 3.49679	Sterimol/B3: 4.46248
Sterimol/B4: 10.6447	Sterimol/L: 15.9767

Surface and Volume Properties
Accessible surface: 674.008	Positive charged surface: 467.272	Negative charged surface: 206.736	Volume: 396.875
Hydrophobic surface: 608.119	Hydrophilic surface: 65.889

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.