MMsINC Database Search


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MMsINC code: MMs03318006

Type: Neutral
Formula: C₂₆H₁₉N₃O

SMILES:

O=C(N(c1c2c(nc3c1cccc3)cccc2)c1ccccc1)Nc1ccccc1

InChI:

InChI=1/C26H19N3O/c30-26(27-19-11-3-1-4-12-19)29(20-13-5-2-6-14-20)25-21-15-7-9-17-23(21)28-24-18-10-8-16-22(24)25/h1-18H,(H,27,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.077 kcal/mol

Physical Properties
Molecular Weight: 389.458 g/mol	logS: -7.40514	SlogP: 6.7582	Reactive groups: 0

Topological Properties
Globularity: 0.52412	Sterimol/B1: 5.67556	Sterimol/B2: 5.82478	Sterimol/B3: 6.5274
Sterimol/B4: 6.60592	Sterimol/L: 13.2335

Surface and Volume Properties
Accessible surface: 647.643	Positive charged surface: 341.867	Negative charged surface: 302.515	Volume: 382.875
Hydrophobic surface: 606.071	Hydrophilic surface: 41.572

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: 0

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Ions/Tautomers related molecules: no related molecules available.