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MMsINC code: MMs00083648

Type: Neutral
Formula: C₁₅H₁₈N₂O₂

SMILES:

O(C)c1cc(ccc1OC)CNCc1ncccc1

InChI:

InChI=1/C15H18N2O2/c1-18-14-7-6-12(9-15(14)19-2)10-16-11-13-5-3-4-8-17-13/h3-9,16H,10-11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3704 kcal/mol

Physical Properties
Molecular Weight: 258.321 g/mol	logS: -1.88882	SlogP: 2.9214	Reactive groups: 0

Topological Properties
Globularity: 0.100426	Sterimol/B1: 2.29895	Sterimol/B2: 2.64942	Sterimol/B3: 4.9948
Sterimol/B4: 7.30816	Sterimol/L: 15.6762

Surface and Volume Properties
Accessible surface: 535.704	Positive charged surface: 410.719	Negative charged surface: 124.986	Volume: 263.5
Hydrophobic surface: 482.544	Hydrophilic surface: 53.16

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00083649
ASINEX-ZINC00169432