MMsINC Database Search


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MMsINC code: MMs00789447

Type: Neutral
Formula: C₂₂H₂₀ClNO₂

SMILES:

Clc1ccccc1COc1cc(ccc1)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C22H20ClNO2/c1-16(17-8-3-2-4-9-17)24-22(25)18-11-7-12-20(14-18)26-15-19-10-5-6-13-21(19)23/h2-14,16H,15H2,1H3,(H,24,25)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.6898 kcal/mol

Physical Properties
Molecular Weight: 365.86 g/mol	logS: -6.17869	SlogP: 5.7719	Reactive groups: 0

Topological Properties
Globularity: 0.0264559	Sterimol/B1: 2.1635	Sterimol/B2: 2.73585	Sterimol/B3: 5.30559
Sterimol/B4: 6.60743	Sterimol/L: 20.2228

Surface and Volume Properties
Accessible surface: 661.615	Positive charged surface: 331.029	Negative charged surface: 330.586	Volume: 354.625
Hydrophobic surface: 603.238	Hydrophilic surface: 58.377

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.