MMsINC Database Search


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MMsINC code: MMs03202354

Type: Neutral
Formula: C₁₅H₂₀N₂O

SMILES:

O(C)c1ccccc1-c1n(cnc1)CC(C)(C)C

InChI:

InChI=1/C15H20N2O/c1-15(2,3)10-17-11-16-9-13(17)12-7-5-6-8-14(12)18-4/h5-9,11H,10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.207 kcal/mol

Physical Properties
Molecular Weight: 244.338 g/mol	logS: -3.26119	SlogP: 3.8712	Reactive groups: 0

Topological Properties
Globularity: 0.0616264	Sterimol/B1: 2.36383	Sterimol/B2: 4.09901	Sterimol/B3: 4.83816
Sterimol/B4: 5.67475	Sterimol/L: 13.1435

Surface and Volume Properties
Accessible surface: 469.541	Positive charged surface: 329.646	Negative charged surface: 139.896	Volume: 256
Hydrophobic surface: 389.227	Hydrophilic surface: 80.314

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.