MMsINC Database Search


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MMsINC code: MMs00639503

Type: Neutral
Formula: C₂₆H₂₂N₂O₂

SMILES:

O(CC)c1cc(ccc1)-c1nc2c(cccc2)c(c1)C(=O)N1CCc2c1cccc2

InChI:

InChI=1/C26H22N2O2/c1-2-30-20-10-7-9-19(16-20)24-17-22(21-11-4-5-12-23(21)27-24)26(29)28-15-14-18-8-3-6-13-25(18)28/h3-13,16-17H,2,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.416 kcal/mol

Physical Properties
Molecular Weight: 394.474 g/mol	logS: -6.79406	SlogP: 5.50337	Reactive groups: 0

Topological Properties
Globularity: 0.109681	Sterimol/B1: 4.81311	Sterimol/B2: 5.54985	Sterimol/B3: 5.6576
Sterimol/B4: 6.03925	Sterimol/L: 18.4598

Surface and Volume Properties
Accessible surface: 675.451	Positive charged surface: 405.464	Negative charged surface: 261.617	Volume: 387.5
Hydrophobic surface: 597.813	Hydrophilic surface: 77.638

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.