MMsINC Database Search


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MMsINC code: MMs01180683

Type: Neutral
Formula: C₂₀H₂₃NO₃

SMILES:

O1CCOc2c1cc(cc2)C(=O)N(Cc1ccccc1C)C(C)C

InChI:

InChI=1/C20H23NO3/c1-14(2)21(13-17-7-5-4-6-15(17)3)20(22)16-8-9-18-19(12-16)24-11-10-23-18/h4-9,12,14H,10-11,13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=333.027 kcal/mol

Physical Properties
Molecular Weight: 325.408 g/mol	logS: -4.57086	SlogP: 4.08342	Reactive groups: 0

Topological Properties
Globularity: 0.0610443	Sterimol/B1: 2.36852	Sterimol/B2: 3.07546	Sterimol/B3: 4.19134
Sterimol/B4: 7.71911	Sterimol/L: 16.799

Surface and Volume Properties
Accessible surface: 552.776	Positive charged surface: 373.43	Negative charged surface: 179.346	Volume: 317.75
Hydrophobic surface: 478.23	Hydrophilic surface: 74.546

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.