MMsINC Database Search


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MMsINC code: MMs00535209

Type: Neutral
Formula: C₂₃H₂₀ClNO₂

SMILES:

Clc1ccc(OCCNC(=O)\C=C\c2ccc(cc2)-c2ccccc2)cc1

InChI:

InChI=1/C23H20ClNO2/c24-21-11-13-22(14-12-21)27-17-16-25-23(26)15-8-18-6-9-20(10-7-18)19-4-2-1-3-5-19/h1-15H,16-17H2,(H,25,26)/b15-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.6313 kcal/mol

Physical Properties
Molecular Weight: 377.871 g/mol	logS: -7.04222	SlogP: 5.2154	Reactive groups: 0

Topological Properties
Globularity: 0.0171981	Sterimol/B1: 2.9952	Sterimol/B2: 3.75695	Sterimol/B3: 3.84289
Sterimol/B4: 7.16644	Sterimol/L: 22.1308

Surface and Volume Properties
Accessible surface: 693.618	Positive charged surface: 336.325	Negative charged surface: 346.221	Volume: 368
Hydrophobic surface: 640.962	Hydrophilic surface: 52.656

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.