MMsINC Database Search


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MMsINC code: MMs00102391

Type: Neutral
Formula: C₂₀H₂₃NO₂

SMILES:

O(c1ccccc1C(=O)NC1CCCCCC1)c1ccccc1

InChI:

InChI=1/C20H23NO2/c22-20(21-16-10-4-1-2-5-11-16)18-14-8-9-15-19(18)23-17-12-6-3-7-13-17/h3,6-9,12-16H,1-2,4-5,10-11H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.2081 kcal/mol

Physical Properties
Molecular Weight: 309.409 g/mol	logS: -5.30008	SlogP: 4.9315	Reactive groups: 0

Topological Properties
Globularity: 0.0675989	Sterimol/B1: 2.2821	Sterimol/B2: 3.67324	Sterimol/B3: 3.69309
Sterimol/B4: 8.17603	Sterimol/L: 16.6713

Surface and Volume Properties
Accessible surface: 577.342	Positive charged surface: 377.959	Negative charged surface: 199.383	Volume: 317.25
Hydrophobic surface: 547.367	Hydrophilic surface: 29.975

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.