MMsINC Database Search


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MMsINC code: MMs02259884

Type: Neutral
Formula: C₂₄H₁₈N₆

SMILES:

n1c(c(nnc1-n1nc(cc1N)-c1ccccc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H18N6/c25-21-16-20(17-10-4-1-5-11-17)29-30(21)24-26-22(18-12-6-2-7-13-18)23(27-28-24)19-14-8-3-9-15-19/h1-16H,25H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=198.164 kcal/mol

Physical Properties
Molecular Weight: 390.45 g/mol	logS: -7.78133	SlogP: 4.6405	Reactive groups: 0

Topological Properties
Globularity: 0.014343	Sterimol/B1: 2.74091	Sterimol/B2: 3.04784	Sterimol/B3: 4.50621
Sterimol/B4: 7.47576	Sterimol/L: 19.056

Surface and Volume Properties
Accessible surface: 656.917	Positive charged surface: 349.273	Negative charged surface: 302.585	Volume: 374.125
Hydrophobic surface: 537.571	Hydrophilic surface: 119.346

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.