MMsINC Database Search


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MMsINC code: MMs03011141

Type: Neutral
Formula: C₁₉H₁₅N₅O

SMILES:

O=C(\N=C/1\N(Cc2c\1cccc2)c1ncccn1)Nc1ccccc1

InChI:

InChI=1/C19H15N5O/c25-19(22-15-8-2-1-3-9-15)23-17-16-10-5-4-7-14(16)13-24(17)18-20-11-6-12-21-18/h1-12H,13H2,(H,22,25)/b23-17+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.0193 kcal/mol

Physical Properties
Molecular Weight: 329.363 g/mol	logS: -5.02304	SlogP: 3.7419	Reactive groups: 0

Topological Properties
Globularity: 0.0475887	Sterimol/B1: 3.33652	Sterimol/B2: 3.5792	Sterimol/B3: 3.99519
Sterimol/B4: 7.83706	Sterimol/L: 16.3865

Surface and Volume Properties
Accessible surface: 565.224	Positive charged surface: 368.182	Negative charged surface: 197.043	Volume: 310.875
Hydrophobic surface: 481.972	Hydrophilic surface: 83.252

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.