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MMsINC code: MMs02797207

Type: Neutral
Formula: C₁₉H₂₃N₃O₃

SMILES:

O(C)c1cc(Nc2ncccc2C(=O)NC2CCCC2)ccc1OC

InChI:

InChI=1/C19H23N3O3/c1-24-16-10-9-14(12-17(16)25-2)21-18-15(8-5-11-20-18)19(23)22-13-6-3-4-7-13/h5,8-13H,3-4,6-7H2,1-2H3,(H,20,21)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.6293 kcal/mol

Physical Properties
Molecular Weight: 341.411 g/mol	logS: -3.26113	SlogP: 3.5148	Reactive groups: 0

Topological Properties
Globularity: 0.0410737	Sterimol/B1: 3.27979	Sterimol/B2: 3.77119	Sterimol/B3: 5.35341
Sterimol/B4: 6.74258	Sterimol/L: 18.5022

Surface and Volume Properties
Accessible surface: 624.697	Positive charged surface: 483.568	Negative charged surface: 141.129	Volume: 333.25
Hydrophobic surface: 561.069	Hydrophilic surface: 63.628

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.