MMsINC Database Search


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MMsINC code: MMs00707658

Type: Neutral
Formula: C₂₆H₂₂N₂O

SMILES:

O=C(Nc1ccc(cc1)Cc1ccncc1)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H22N2O/c29-26(25(22-7-3-1-4-8-22)23-9-5-2-6-10-23)28-24-13-11-20(12-14-24)19-21-15-17-27-18-16-21/h1-18,25H,19H2,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.67 kcal/mol

Physical Properties
Molecular Weight: 378.475 g/mol	logS: -5.91704	SlogP: 5.44297	Reactive groups: 0

Topological Properties
Globularity: 0.0770263	Sterimol/B1: 2.43894	Sterimol/B2: 3.52508	Sterimol/B3: 4.30428
Sterimol/B4: 9.16236	Sterimol/L: 16.9599

Surface and Volume Properties
Accessible surface: 672.564	Positive charged surface: 419.538	Negative charged surface: 253.026	Volume: 385.75
Hydrophobic surface: 630.038	Hydrophilic surface: 42.526

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.