MMsINC Database Search


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MMsINC code: MMs02614228

Type: Neutral
Formula: C₂₆H₂₄N₄

SMILES:

n1c(cc(nc1-c1ccccc1)N1CCCCC1)-c1cc(cnc1)-c1ccccc1

InChI:

InChI=1/C26H24N4/c1-4-10-20(11-5-1)22-16-23(19-27-18-22)24-17-25(30-14-8-3-9-15-30)29-26(28-24)21-12-6-2-7-13-21/h1-2,4-7,10-13,16-19H,3,8-9,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.382 kcal/mol

Physical Properties
Molecular Weight: 392.506 g/mol	logS: -7.52964	SlogP: 5.8629	Reactive groups: 0

Topological Properties
Globularity: 0.0139572	Sterimol/B1: 2.93802	Sterimol/B2: 3.27676	Sterimol/B3: 5.54671
Sterimol/B4: 8.0876	Sterimol/L: 18.7195

Surface and Volume Properties
Accessible surface: 687.516	Positive charged surface: 411.608	Negative charged surface: 253.766	Volume: 398.125
Hydrophobic surface: 633.476	Hydrophilic surface: 54.04

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0

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Ions/Tautomers related molecules: no related molecules available.