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MMsINC code: MMs02309279

Type: Tautomer
Formula: C₁₅H₁₈N₆

SMILES:

N(C(N)=N)c1ccc(cc1)Cc1ccc(NC(N)=N)cc1

InChI:

InChI=1/C15H18N6/c16-14(17)20-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21-15(18)19/h1-8H,9H2,(H4,16,17,20)(H4,18,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.8013 kcal/mol

Physical Properties
Molecular Weight: 282.351 g/mol	logS: -4.20138	SlogP: 1.88811	Reactive groups: 0

Topological Properties
Globularity: 0.0937366	Sterimol/B1: 2.37287	Sterimol/B2: 2.9777	Sterimol/B3: 4.86155
Sterimol/B4: 5.33268	Sterimol/L: 17.1989

Surface and Volume Properties
Accessible surface: 538.487	Positive charged surface: 367.865	Negative charged surface: 170.622	Volume: 278.75
Hydrophobic surface: 264.902	Hydrophilic surface: 273.585

Pharmacophoric Properties
Hydrogen bond donors: 6	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: 1

search links for this molecule:

Parent related molecule:

MMs02309278
NCID-ZINC01673372