MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03162123

Type: Neutral
Formula: C₂₃H₁₈ClNO₂

SMILES:

Clc1ccccc1Cn1cc(c2c1cccc2)C(=O)COc1ccccc1

InChI:

InChI=1/C23H18ClNO2/c24-21-12-6-4-8-17(21)14-25-15-20(19-11-5-7-13-22(19)25)23(26)16-27-18-9-2-1-3-10-18/h1-13,15H,14,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0199 kcal/mol

Physical Properties
Molecular Weight: 375.855 g/mol	logS: -6.22061	SlogP: 5.8711	Reactive groups: 0

Topological Properties
Globularity: 0.051056	Sterimol/B1: 3.68214	Sterimol/B2: 3.74048	Sterimol/B3: 4.53693
Sterimol/B4: 7.71617	Sterimol/L: 17.1628

Surface and Volume Properties
Accessible surface: 632.836	Positive charged surface: 313.53	Negative charged surface: 313.748	Volume: 358.75
Hydrophobic surface: 574.317	Hydrophilic surface: 58.519

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.