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MMsINC code: MMs03153961

Type: Neutral
Formula: C₁₈H₁₉N₃O₂

SMILES:

O(C)c1ccc(cc1)-c1n(C)c(nc1)NCc1ccccc1O

InChI:

InChI=1/C18H19N3O2/c1-21-16(13-7-9-15(23-2)10-8-13)12-20-18(21)19-11-14-5-3-4-6-17(14)22/h3-10,12,22H,11H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.5187 kcal/mol

Physical Properties
Molecular Weight: 309.369 g/mol	logS: -4.13282	SlogP: 4.039	Reactive groups: 0

Topological Properties
Globularity: 0.0408693	Sterimol/B1: 2.20534	Sterimol/B2: 3.39447	Sterimol/B3: 4.55863
Sterimol/B4: 5.91057	Sterimol/L: 19.051

Surface and Volume Properties
Accessible surface: 575.961	Positive charged surface: 402.911	Negative charged surface: 173.051	Volume: 305.375
Hydrophobic surface: 484.397	Hydrophilic surface: 91.564

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.