MMsINC Database Search


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MMsINC code: MMs02360836

Type: Neutral
Formula: C₁₉H₁₉N₃O₃

SMILES:

O(CCc1ccccc1)c1cc(C)c(NC=2NC(=O)NC(=O)C=2)cc1

InChI:

InChI=1/C19H19N3O3/c1-13-11-15(25-10-9-14-5-3-2-4-6-14)7-8-16(13)20-17-12-18(23)22-19(24)21-17/h2-8,11-12H,9-10H2,1H3,(H3,20,21,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.0893 kcal/mol

Physical Properties
Molecular Weight: 337.379 g/mol	logS: -4.39883	SlogP: 2.70919	Reactive groups: 0

Topological Properties
Globularity: 0.0580675	Sterimol/B1: 2.38756	Sterimol/B2: 3.5765	Sterimol/B3: 3.91855
Sterimol/B4: 8.8877	Sterimol/L: 16.6978

Surface and Volume Properties
Accessible surface: 607.309	Positive charged surface: 352.721	Negative charged surface: 254.587	Volume: 319.5
Hydrophobic surface: 436.688	Hydrophilic surface: 170.621

Pharmacophoric Properties
Hydrogen bond donors: 3	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.