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MMsINC code: MMs01567154

Type: Neutral
Formula: C₂₄H₂₄N₄O₃

SMILES:

O=C1N(CC(=O)c2ccccc2)C(=O)N(c2ncn(c12)CCCC)Cc1ccccc1

InChI:

InChI=1/C24H24N4O3/c1-2-3-14-26-17-25-22-21(26)23(30)28(16-20(29)19-12-8-5-9-13-19)24(31)27(22)15-18-10-6-4-7-11-18/h4-13,17H,2-3,14-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.2662 kcal/mol

Physical Properties
Molecular Weight: 416.481 g/mol	logS: -5.59968	SlogP: 4.6813	Reactive groups: 0

Topological Properties
Globularity: 0.147709	Sterimol/B1: 2.2247	Sterimol/B2: 2.56573	Sterimol/B3: 5.85278
Sterimol/B4: 12.2686	Sterimol/L: 16.4562

Surface and Volume Properties
Accessible surface: 710.33	Positive charged surface: 447.904	Negative charged surface: 262.426	Volume: 403.25
Hydrophobic surface: 595.217	Hydrophilic surface: 115.113

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

MMs01567155
ENAMINE-ZINC04936264