MMsINC Database Search


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MMsINC code: MMs00747128

Type: Neutral
Formula: C₂₆H₂₀N₂O

SMILES:

O(CC)c1ccc(cc1)-c1nc2c(c3c(cc2)cccc3)c(c1)-c1cccnc1

InChI:

InChI=1/C26H20N2O/c1-2-29-21-12-9-19(10-13-21)25-16-23(20-7-5-15-27-17-20)26-22-8-4-3-6-18(22)11-14-24(26)28-25/h3-17H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=174.173 kcal/mol

Physical Properties
Molecular Weight: 376.459 g/mol	logS: -7.79231	SlogP: 6.5157	Reactive groups: 0

Topological Properties
Globularity: 0.020166	Sterimol/B1: 3.44651	Sterimol/B2: 3.7121	Sterimol/B3: 5.99798
Sterimol/B4: 6.25014	Sterimol/L: 19.2388

Surface and Volume Properties
Accessible surface: 650.394	Positive charged surface: 393.648	Negative charged surface: 235.963	Volume: 374.875
Hydrophobic surface: 582.114	Hydrophilic surface: 68.28

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.