MMsINC Database Search


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MMsINC code: MMs02613606

Type: Neutral
Formula: C₂₆H₂₄N₄O

SMILES:

OC1CCN(CC1)c1nc(nc(c1)-c1cc(cnc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C26H24N4O/c31-23-11-13-30(14-12-23)25-16-24(28-26(29-25)20-9-5-2-6-10-20)22-15-21(17-27-18-22)19-7-3-1-4-8-19/h1-10,15-18,23,31H,11-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.871 kcal/mol

Physical Properties
Molecular Weight: 408.505 g/mol	logS: -7.12533	SlogP: 4.8337	Reactive groups: 0

Topological Properties
Globularity: 0.0137422	Sterimol/B1: 2.86387	Sterimol/B2: 3.36018	Sterimol/B3: 5.35706
Sterimol/B4: 8.37294	Sterimol/L: 19.4003

Surface and Volume Properties
Accessible surface: 700.018	Positive charged surface: 416.994	Negative charged surface: 260.882	Volume: 405.5
Hydrophobic surface: 596.917	Hydrophilic surface: 103.101

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: 0

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Ions/Tautomers related molecules: no related molecules available.