MMsINC Database Search


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MMsINC code: MMs00700755

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(CCCC)c1ccc(cc1)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C19H23NO2/c1-3-4-14-22-18-12-10-17(11-13-18)19(21)20-15(2)16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3,(H,20,21)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.69 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -4.7207	SlogP: 4.452	Reactive groups: 0

Topological Properties
Globularity: 0.030498	Sterimol/B1: 3.27749	Sterimol/B2: 3.70653	Sterimol/B3: 3.87692
Sterimol/B4: 6.60937	Sterimol/L: 18.6731

Surface and Volume Properties
Accessible surface: 604.057	Positive charged surface: 377.528	Negative charged surface: 226.529	Volume: 314.875
Hydrophobic surface: 522.656	Hydrophilic surface: 81.401

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.