MMsINC Database Search


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MMsINC code: MMs03375420

Type: Neutral
Formula: C₁₉H₂₈N₂O

SMILES:

O=C(N1C(CC(=CC1(C)C)c1ccccc1)(C)C)CN(C)C

InChI:

InChI=1/C19H28N2O/c1-18(2)12-16(15-10-8-7-9-11-15)13-19(3,4)21(18)17(22)14-20(5)6/h7-12H,13-14H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=208.727 kcal/mol

Physical Properties
Molecular Weight: 300.446 g/mol	logS: -3.17792	SlogP: 3.4211	Reactive groups: 0

Topological Properties
Globularity: 0.15539	Sterimol/B1: 2.88935	Sterimol/B2: 3.06008	Sterimol/B3: 5.61227
Sterimol/B4: 6.49036	Sterimol/L: 16.0388

Surface and Volume Properties
Accessible surface: 552.842	Positive charged surface: 396.877	Negative charged surface: 155.965	Volume: 324.125
Hydrophobic surface: 479.733	Hydrophilic surface: 73.109

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.