MMsINC Database Search


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MMsINC code: MMs03106886

Type: Neutral
Formula: C₁₅H₁₅N₅

SMILES:

n1cncc(-c2ccc(N(C)C)cc2)c1-n1ccnc1

InChI:

InChI=1/C15H15N5/c1-19(2)13-5-3-12(4-6-13)14-9-17-10-18-15(14)20-8-7-16-11-20/h3-11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.4432 kcal/mol

Physical Properties
Molecular Weight: 265.32 g/mol	logS: -3.27488	SlogP: 2.3953	Reactive groups: 0

Topological Properties
Globularity: 0.0701567	Sterimol/B1: 2.60296	Sterimol/B2: 3.88775	Sterimol/B3: 3.9883
Sterimol/B4: 6.63237	Sterimol/L: 14.0628

Surface and Volume Properties
Accessible surface: 482.01	Positive charged surface: 379.361	Negative charged surface: 98.8987	Volume: 262.5
Hydrophobic surface: 381.602	Hydrophilic surface: 100.408

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.