MMsINC Database Search


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MMsINC code: MMs01815713

Type: Neutral
Formula: C₂₆H₂₄N₄O

SMILES:

O(C)c1ccc(cc1)-c1nc2nc3c(nc2n1-c1ccc(cc1)CCCC)cccc3

InChI:

InChI=1/C26H24N4O/c1-3-4-7-18-10-14-20(15-11-18)30-25(19-12-16-21(31-2)17-13-19)29-24-26(30)28-23-9-6-5-8-22(23)27-24/h5-6,8-17H,3-4,7H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.939 kcal/mol

Physical Properties
Molecular Weight: 408.505 g/mol	logS: -10.0514	SlogP: 5.98687	Reactive groups: 0

Topological Properties
Globularity: 0.0337315	Sterimol/B1: 2.80766	Sterimol/B2: 3.10855	Sterimol/B3: 4.24624
Sterimol/B4: 10.7509	Sterimol/L: 19.1718

Surface and Volume Properties
Accessible surface: 716.839	Positive charged surface: 468.843	Negative charged surface: 247.996	Volume: 407.375
Hydrophobic surface: 617.06	Hydrophilic surface: 99.779

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.