MMsINC Database Search


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MMsINC code: MMs03771293

Type: Neutral
Formula: C₂₃H₂₂ClNO₃

SMILES:

Clc1cc(cc(OC)c1OCc1ccc(cc1)C)C(=O)NCc1ccccc1

InChI:

InChI=1/C23H22ClNO3/c1-16-8-10-18(11-9-16)15-28-22-20(24)12-19(13-21(22)27-2)23(26)25-14-17-6-4-3-5-7-17/h3-13H,14-15H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.7466 kcal/mol

Physical Properties
Molecular Weight: 395.886 g/mol	logS: -6.37578	SlogP: 5.69882	Reactive groups: 0

Topological Properties
Globularity: 0.0248847	Sterimol/B1: 3.164	Sterimol/B2: 3.20744	Sterimol/B3: 4.06336
Sterimol/B4: 7.90473	Sterimol/L: 20.4952

Surface and Volume Properties
Accessible surface: 707.044	Positive charged surface: 414.593	Negative charged surface: 292.451	Volume: 382.25
Hydrophobic surface: 644.241	Hydrophilic surface: 62.803

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.