MMsINC Database Search


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MMsINC code: MMs02725900

Type: Neutral
Formula: C₂₆H₁₈N₂O

SMILES:

o1cccc1-c1nc2c3c(c4c(c2n1Cc1ccccc1)cccc4)cccc3

InChI:

InChI=1/C26H18N2O/c1-2-9-18(10-3-1)17-28-25-22-14-7-5-12-20(22)19-11-4-6-13-21(19)24(25)27-26(28)23-15-8-16-29-23/h1-16H,17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.751 kcal/mol

Physical Properties
Molecular Weight: 374.443 g/mol	logS: -9.47536	SlogP: 6.9174	Reactive groups: 0

Topological Properties
Globularity: 0.113122	Sterimol/B1: 2.3351	Sterimol/B2: 2.90518	Sterimol/B3: 5.44227
Sterimol/B4: 8.55263	Sterimol/L: 14.6533

Surface and Volume Properties
Accessible surface: 602.33	Positive charged surface: 301.5	Negative charged surface: 281.481	Volume: 367.875
Hydrophobic surface: 574.841	Hydrophilic surface: 27.489

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.