MMsINC Database Search


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MMsINC code: MMs00555496

Type: Neutral
Formula: C₂₆H₂₂N₂

SMILES:

[nH]1c2c3c(nc(cc3-c3ccccc3)-c3ccccc3)c(cc2c(C)c1C)C

InChI:

InChI=1/C26H22N2/c1-16-14-21-17(2)18(3)27-26(21)24-22(19-10-6-4-7-11-19)15-23(28-25(16)24)20-12-8-5-9-13-20/h4-15,27H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.429 kcal/mol

Physical Properties
Molecular Weight: 362.476 g/mol	logS: -7.71921	SlogP: 6.97536	Reactive groups: 0

Topological Properties
Globularity: 0.0330369	Sterimol/B1: 2.32079	Sterimol/B2: 3.21334	Sterimol/B3: 3.4419
Sterimol/B4: 10.7564	Sterimol/L: 16.7119

Surface and Volume Properties
Accessible surface: 629.229	Positive charged surface: 350.996	Negative charged surface: 260.409	Volume: 373.5
Hydrophobic surface: 605.4	Hydrophilic surface: 23.829

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: 0

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Ions/Tautomers related molecules: no related molecules available.