MMsINC Database Search


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MMsINC code: MMs02610542

Type: Neutral
Formula: C₂₀H₁₅N₅

SMILES:

n1c(cc(nc1-c1ccncc1)Nc1ccccc1)-c1ncccc1

InChI:

InChI=1/C20H15N5/c1-2-6-16(7-3-1)23-19-14-18(17-8-4-5-11-22-17)24-20(25-19)15-9-12-21-13-10-15/h1-14H,(H,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.9674 kcal/mol

Physical Properties
Molecular Weight: 325.375 g/mol	logS: -4.75268	SlogP: 4.3442	Reactive groups: 0

Topological Properties
Globularity: 0.0161	Sterimol/B1: 2.7345	Sterimol/B2: 2.90538	Sterimol/B3: 3.80409
Sterimol/B4: 8.28891	Sterimol/L: 16.4651

Surface and Volume Properties
Accessible surface: 573.293	Positive charged surface: 367.216	Negative charged surface: 201.064	Volume: 318.125
Hydrophobic surface: 494.776	Hydrophilic surface: 78.517

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: 1

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Ions/Tautomers related molecules: no related molecules available.