MMsINC Database Search


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MMsINC code: MMs01189743

Type: Neutral
Formula: C₂₃H₂₄N₄O₂

SMILES:

O1CCN(CC1)c1ncc(cc1)C(=O)N(Cc1ccccc1)Cc1cccnc1

InChI:

InChI=1/C23H24N4O2/c28-23(21-8-9-22(25-16-21)26-11-13-29-14-12-26)27(17-19-5-2-1-3-6-19)18-20-7-4-10-24-15-20/h1-10,15-16H,11-14,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=179.953 kcal/mol

Physical Properties
Molecular Weight: 388.471 g/mol	logS: -2.97469	SlogP: 3.6886	Reactive groups: 0

Topological Properties
Globularity: 0.0772534	Sterimol/B1: 2.71038	Sterimol/B2: 3.03176	Sterimol/B3: 5.15182
Sterimol/B4: 10.2354	Sterimol/L: 15.8824

Surface and Volume Properties
Accessible surface: 654.278	Positive charged surface: 456.388	Negative charged surface: 197.89	Volume: 380.875
Hydrophobic surface: 565.013	Hydrophilic surface: 89.265

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.