MMsINC Database Search


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MMsINC code: MMs02913411

Type: Neutral
Formula: C₁₅H₁₅N₅O

SMILES:

O=C(Nc1ccc(cc1)Cn1nccc1)c1nn(cc1)C

InChI:

InChI=1/C15H15N5O/c1-19-10-7-14(18-19)15(21)17-13-5-3-12(4-6-13)11-20-9-2-8-16-20/h2-10H,11H2,1H3,(H,17,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0125 kcal/mol

Physical Properties
Molecular Weight: 281.319 g/mol	logS: -1.93579	SlogP: 2.5428	Reactive groups: 0

Topological Properties
Globularity: 0.0522947	Sterimol/B1: 2.33401	Sterimol/B2: 3.84859	Sterimol/B3: 4.23075
Sterimol/B4: 5.67425	Sterimol/L: 17.5429

Surface and Volume Properties
Accessible surface: 541.023	Positive charged surface: 366.244	Negative charged surface: 174.779	Volume: 272.25
Hydrophobic surface: 418.829	Hydrophilic surface: 122.194

Pharmacophoric Properties
Hydrogen bond donors: 1	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.