MMsINC Database Search


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MMsINC code: MMs02248089

Type: Neutral
Formula: C₁₉H₁₉NO

SMILES:

o1c(-c2ccccc2)c(cc1-c1ccccc1)CN(C)C

InChI:

InChI=1/C19H19NO/c1-20(2)14-17-13-18(15-9-5-3-6-10-15)21-19(17)16-11-7-4-8-12-16/h3-13H,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.2777 kcal/mol

Physical Properties
Molecular Weight: 277.367 g/mol	logS: -5.64534	SlogP: 4.9416	Reactive groups: 0

Topological Properties
Globularity: 0.0768692	Sterimol/B1: 2.76152	Sterimol/B2: 3.51798	Sterimol/B3: 3.73067
Sterimol/B4: 7.70398	Sterimol/L: 14.8946

Surface and Volume Properties
Accessible surface: 545.809	Positive charged surface: 370.423	Negative charged surface: 175.386	Volume: 296.75
Hydrophobic surface: 535.343	Hydrophilic surface: 10.466

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

MMs02248090
NCID-ZINC01593693