MMsINC Database Search


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MMsINC code: MMs02965755

Type: Neutral
Formula: C₁₉H₂₀N₄O₃

SMILES:

O=C1N(CCCCC(=O)NCc2ncccc2)C(=O)Nc2c1cccc2

InChI:

InChI=1/C19H20N4O3/c24-17(21-13-14-7-3-5-11-20-14)10-4-6-12-23-18(25)15-8-1-2-9-16(15)22-19(23)26/h1-3,5,7-9,11H,4,6,10,12-13H2,(H,21,24)(H,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.1515 kcal/mol

Physical Properties
Molecular Weight: 352.394 g/mol	logS: -2.95262	SlogP: 2.8224	Reactive groups: 0

Topological Properties
Globularity: 0.0444093	Sterimol/B1: 2.46075	Sterimol/B2: 3.46976	Sterimol/B3: 3.86364
Sterimol/B4: 6.30038	Sterimol/L: 20.8527

Surface and Volume Properties
Accessible surface: 640.411	Positive charged surface: 418.472	Negative charged surface: 221.938	Volume: 333.75
Hydrophobic surface: 484.423	Hydrophilic surface: 155.988

Pharmacophoric Properties
Hydrogen bond donors: 2	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.