MMsINC Database Search


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MMsINC code: MMs02353469

Type: Neutral
Formula: C₁₆H₁₉NO₂

SMILES:

O(C)c1cc(N(C)C)c(OC)cc1C=C1C=CC=C1

InChI:

InChI=1/C16H19NO2/c1-17(2)14-11-15(18-3)13(10-16(14)19-4)9-12-7-5-6-8-12/h5-11H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.755 kcal/mol

Physical Properties
Molecular Weight: 257.333 g/mol	logS: -3.0625	SlogP: 3.2792	Reactive groups: 0

Topological Properties
Globularity: 0.0816427	Sterimol/B1: 2.27866	Sterimol/B2: 4.8394	Sterimol/B3: 5.02698
Sterimol/B4: 6.98375	Sterimol/L: 14.1572

Surface and Volume Properties
Accessible surface: 508.638	Positive charged surface: 397.05	Negative charged surface: 106.869	Volume: 269.25
Hydrophobic surface: 498.159	Hydrophilic surface: 10.479

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.