MMsINC Database Search


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MMsINC code: MMs00921154

Type: Neutral
Formula: C₂₄H₂₆N₄

SMILES:

n1cnc2n(cc(c2c1N(CCCC)C)-c1ccccc1)-c1cc(ccc1)C

InChI:

InChI=1/C24H26N4/c1-4-5-14-27(3)23-22-21(19-11-7-6-8-12-19)16-28(24(22)26-17-25-23)20-13-9-10-18(2)15-20/h6-13,15-17H,4-5,14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.346 kcal/mol

Physical Properties
Molecular Weight: 370.5 g/mol	logS: -7.71574	SlogP: 5.63222	Reactive groups: 0

Topological Properties
Globularity: 0.0885867	Sterimol/B1: 2.50673	Sterimol/B2: 5.33303	Sterimol/B3: 5.57303
Sterimol/B4: 6.47583	Sterimol/L: 18.1667

Surface and Volume Properties
Accessible surface: 671.093	Positive charged surface: 463.877	Negative charged surface: 203.946	Volume: 389.875
Hydrophobic surface: 592.098	Hydrophilic surface: 78.995

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1

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Ions/Tautomers related molecules: no related molecules available.