MMsINC Database Search


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MMsINC code: MMs00636069

Type: Neutral
Formula: C₂₀H₁₉NO₂

SMILES:

O(C)c1cc(ccc1)C(=O)NC(C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C20H19NO2/c1-14(16-11-10-15-6-3-4-7-17(15)12-16)21-20(22)18-8-5-9-19(13-18)23-2/h3-14H,1-2H3,(H,21,22)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5749 kcal/mol

Physical Properties
Molecular Weight: 305.377 g/mol	logS: -5.55438	SlogP: 4.4349	Reactive groups: 0

Topological Properties
Globularity: 0.0547863	Sterimol/B1: 2.11569	Sterimol/B2: 2.33964	Sterimol/B3: 5.19667
Sterimol/B4: 6.62653	Sterimol/L: 18.6281

Surface and Volume Properties
Accessible surface: 582.033	Positive charged surface: 342.533	Negative charged surface: 228.361	Volume: 306.5
Hydrophobic surface: 517.906	Hydrophilic surface: 64.127

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.