MMsINC Database Search


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MMsINC code: MMs00975664

Type: Neutral
Formula: C₂₆H₂₃N₃O

SMILES:

O(CC)c1cc2c3n(nc(c3cnc2cc1)-c1cc(C)c(cc1)C)-c1ccccc1

InChI:

InChI=1/C26H23N3O/c1-4-30-21-12-13-24-22(15-21)26-23(16-27-24)25(19-11-10-17(2)18(3)14-19)28-29(26)20-8-6-5-7-9-20/h5-16H,4H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.824 kcal/mol

Physical Properties
Molecular Weight: 393.49 g/mol	logS: -7.69462	SlogP: 6.25624	Reactive groups: 0

Topological Properties
Globularity: 0.0275102	Sterimol/B1: 3.19977	Sterimol/B2: 3.76135	Sterimol/B3: 5.19233
Sterimol/B4: 7.07629	Sterimol/L: 19.5457

Surface and Volume Properties
Accessible surface: 683.436	Positive charged surface: 416.073	Negative charged surface: 258.429	Volume: 395.875
Hydrophobic surface: 618.637	Hydrophilic surface: 64.799

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.