MMsINC Database Search


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MMsINC code: MMs00190939

Type: Neutral
Formula: C₂₆H₂₁N₃

SMILES:

[nH]1c2c(cccc2)c(C=2CC(=NN=C(C=2)c2ccccc2)c2ccccc2)c1C

InChI:

InChI=1/C26H21N3/c1-18-26(22-14-8-9-15-23(22)27-18)21-16-24(19-10-4-2-5-11-19)28-29-25(17-21)20-12-6-3-7-13-20/h2-16,27H,17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.415 kcal/mol

Physical Properties
Molecular Weight: 375.475 g/mol	logS: -7.00786	SlogP: 6.15702	Reactive groups: 0

Topological Properties
Globularity: 0.206931	Sterimol/B1: 2.19983	Sterimol/B2: 5.54442	Sterimol/B3: 8.25193
Sterimol/B4: 9.13762	Sterimol/L: 15.4808

Surface and Volume Properties
Accessible surface: 670.194	Positive charged surface: 369.66	Negative charged surface: 296.83	Volume: 383.625
Hydrophobic surface: 610.018	Hydrophilic surface: 60.176

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.