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MMsINC code: MMs00738490

Type: Neutral
Formula: C₁₁H₁₆N₂O

SMILES:

ON\C(=C\CN(C)C)\c1ccccc1

InChI:

InChI=1/C11H16N2O/c1-13(2)9-8-11(12-14)10-6-4-3-5-7-10/h3-8,12,14H,9H2,1-2H3/b11-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.1433 kcal/mol

Physical Properties
Molecular Weight: 192.262 g/mol	logS: -1.32245	SlogP: 1.5679	Reactive groups: 0

Topological Properties
Globularity: 0.135597	Sterimol/B1: 3.16615	Sterimol/B2: 3.5402	Sterimol/B3: 4.11294
Sterimol/B4: 5.84323	Sterimol/L: 11.4604

Surface and Volume Properties
Accessible surface: 426.117	Positive charged surface: 312.42	Negative charged surface: 113.697	Volume: 203.75
Hydrophobic surface: 333.943	Hydrophilic surface: 92.174

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00738491
CHEMBRIDGE-ZINC02899106