MMsINC Database Search


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MMsINC code: MMs02797961

Type: Neutral
Formula: C₁₉H₂₃N₃O₂

SMILES:

O(C)c1ccc(Nc2ncc(cc2)C(=O)NC2CCCCC2)cc1

InChI:

InChI=1/C19H23N3O2/c1-24-17-10-8-16(9-11-17)21-18-12-7-14(13-20-18)19(23)22-15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,20,21)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.8914 kcal/mol

Physical Properties
Molecular Weight: 325.412 g/mol	logS: -3.72597	SlogP: 3.8963	Reactive groups: 0

Topological Properties
Globularity: 0.0302541	Sterimol/B1: 2.42549	Sterimol/B2: 3.38953	Sterimol/B3: 3.5979
Sterimol/B4: 7.90765	Sterimol/L: 19.0082

Surface and Volume Properties
Accessible surface: 610.568	Positive charged surface: 446.942	Negative charged surface: 163.626	Volume: 325.375
Hydrophobic surface: 534.654	Hydrophilic surface: 75.914

Pharmacophoric Properties
Hydrogen bond donors: 2	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.