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MMsINC code: MMs00427055

Type: Neutral
Formula: C₁₁H₁₆N₂O

SMILES:

O\N=C(\CCN(C)C)/c1ccccc1

InChI:

InChI=1/C11H16N2O/c1-13(2)9-8-11(12-14)10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3/b12-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.2716 kcal/mol

Physical Properties
Molecular Weight: 192.262 g/mol	logS: -1.28482	SlogP: 1.8166	Reactive groups: 0

Topological Properties
Globularity: 0.0805157	Sterimol/B1: 2.24583	Sterimol/B2: 3.93014	Sterimol/B3: 4.39387
Sterimol/B4: 5.23603	Sterimol/L: 12.4527

Surface and Volume Properties
Accessible surface: 431.017	Positive charged surface: 311.678	Negative charged surface: 119.34	Volume: 207.25
Hydrophobic surface: 359.686	Hydrophilic surface: 71.331

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs00427056
ASINEX-ZINC04996995