MMsINC Database Search


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MMsINC code: MMs01152451

Type: Neutral
Formula: C₂₆H₂₄N₂O

SMILES:

O=C(NCc1ccccc1)c1cc(n(c1C)-c1ccc(cc1)C)-c1ccccc1

InChI:

InChI=1/C26H24N2O/c1-19-13-15-23(16-14-19)28-20(2)24(17-25(28)22-11-7-4-8-12-22)26(29)27-18-21-9-5-3-6-10-21/h3-17H,18H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.638 kcal/mol

Physical Properties
Molecular Weight: 380.491 g/mol	logS: -6.64249	SlogP: 5.95754	Reactive groups: 0

Topological Properties
Globularity: 0.0473595	Sterimol/B1: 3.5066	Sterimol/B2: 3.83081	Sterimol/B3: 3.83649
Sterimol/B4: 8.16739	Sterimol/L: 19.0041

Surface and Volume Properties
Accessible surface: 688.934	Positive charged surface: 400.533	Negative charged surface: 288.401	Volume: 393.125
Hydrophobic surface: 639.454	Hydrophilic surface: 49.48

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.