MMsINC Database Search


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MMsINC code: MMs01522937

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(CCCC(=O)Nc1cc(ccc1C)C)c1ccc(cc1)C

InChI:

InChI=1/C19H23NO2/c1-14-7-10-17(11-8-14)22-12-4-5-19(21)20-18-13-15(2)6-9-16(18)3/h6-11,13H,4-5,12H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4323 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -4.62369	SlogP: 4.40956	Reactive groups: 0

Topological Properties
Globularity: 0.0120726	Sterimol/B1: 2.48782	Sterimol/B2: 2.96236	Sterimol/B3: 4.47883
Sterimol/B4: 5.14466	Sterimol/L: 19.7097

Surface and Volume Properties
Accessible surface: 623.863	Positive charged surface: 400.082	Negative charged surface: 223.78	Volume: 314
Hydrophobic surface: 583.816	Hydrophilic surface: 40.047

Pharmacophoric Properties
Hydrogen bond donors: 1	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.