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MMsINC code: MMs00894561

Type: Neutral
Formula: C₂₄H₂₆N₄O₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)CN2CCN(CC2)c2ncccc2)cc1

InChI:

InChI=1/C24H26N4O2/c29-24(18-27-14-16-28(17-15-27)23-8-4-5-13-25-23)26-21-9-11-22(12-10-21)30-19-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=177.762 kcal/mol

Physical Properties
Molecular Weight: 402.498 g/mol	logS: -4.22685	SlogP: 3.6877	Reactive groups: 0

Topological Properties
Globularity: 0.0283476	Sterimol/B1: 3.07957	Sterimol/B2: 3.21051	Sterimol/B3: 3.83174
Sterimol/B4: 6.63372	Sterimol/L: 23.1881

Surface and Volume Properties
Accessible surface: 730.193	Positive charged surface: 502.315	Negative charged surface: 227.877	Volume: 403.25
Hydrophobic surface: 661.099	Hydrophilic surface: 69.094

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00894562
CHEMDIV-ZINC02939302