MMsINC Database Search


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MMsINC code: MMs02610284

Type: Neutral
Formula: C₂₆H₂₄N₄O

SMILES:

O(C)c1ccc(cc1)-c1cc(cnc1)-c1nc(nc(N2CCc3c(C2)cccc3)c1)C

InChI:

InChI=1/C26H24N4O/c1-18-28-25(14-26(29-18)30-12-11-19-5-3-4-6-21(19)17-30)23-13-22(15-27-16-23)20-7-9-24(31-2)10-8-20/h3-10,13-16H,11-12,17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.464 kcal/mol

Physical Properties
Molecular Weight: 408.505 g/mol	logS: -6.08427	SlogP: 5.35169	Reactive groups: 0

Topological Properties
Globularity: 0.0148171	Sterimol/B1: 1.98987	Sterimol/B2: 2.81328	Sterimol/B3: 3.69056
Sterimol/B4: 8.84477	Sterimol/L: 22.5046

Surface and Volume Properties
Accessible surface: 712.24	Positive charged surface: 473.667	Negative charged surface: 222.36	Volume: 405.625
Hydrophobic surface: 645.93	Hydrophilic surface: 66.31

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.