MMsINC Database Search


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MMsINC code: MMs02340166

Type: Neutral
Formula: C₁₁H₁₆N₂O₂

SMILES:

OC(C(=O)N)c1ccccc1CN(C)C

InChI:

InChI=1/C11H16N2O2/c1-13(2)7-8-5-3-4-6-9(8)10(14)11(12)15/h3-6,10,14H,7H2,1-2H3,(H2,12,15)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4225 kcal/mol

Physical Properties
Molecular Weight: 208.261 g/mol	logS: -1.30591	SlogP: 0.6288	Reactive groups: 0

Topological Properties
Globularity: 0.209373	Sterimol/B1: 2.56009	Sterimol/B2: 4.17515	Sterimol/B3: 4.36637
Sterimol/B4: 5.58654	Sterimol/L: 10.8139

Surface and Volume Properties
Accessible surface: 406.694	Positive charged surface: 281.965	Negative charged surface: 124.729	Volume: 208
Hydrophobic surface: 284.301	Hydrophilic surface: 122.393

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02340167
NCID-ZINC01713740