MMsINC Database Search


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MMsINC code: MMs00595952

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(C)c1ccc(cc1)CC(=O)N(Cc1ccccc1)C(C)C

InChI:

InChI=1/C19H23NO2/c1-15(2)20(14-17-7-5-4-6-8-17)19(21)13-16-9-11-18(22-3)12-10-16/h4-12,15H,13-14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.8201 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -3.95919	SlogP: 3.94127	Reactive groups: 0

Topological Properties
Globularity: 0.0848963	Sterimol/B1: 2.4353	Sterimol/B2: 3.99044	Sterimol/B3: 5.03192
Sterimol/B4: 7.16377	Sterimol/L: 16.2901

Surface and Volume Properties
Accessible surface: 563.268	Positive charged surface: 378.848	Negative charged surface: 184.421	Volume: 312.375
Hydrophobic surface: 498.238	Hydrophilic surface: 65.03

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.