MMsINC Database Search


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MMsINC code: MMs00913850

Type: Neutral
Formula: C₂₃H₁₈ClNO₂

SMILES:

Clc1ccccc1OCCn1cc(c2c1cccc2)C(=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.238 kcal/mol

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

Topological Properties
Globularity: 0.101786	Sterimol/B1: 2.48975	Sterimol/B2: 4.44424	Sterimol/B3: 4.62034
Sterimol/B4: 10.5124	Sterimol/L: 16.274

Surface and Volume Properties
Accessible surface: 653.709	Positive charged surface: 323.945	Negative charged surface: 324.366	Volume: 357.875
Hydrophobic surface: 613.713	Hydrophilic surface: 39.996

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

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Ions/Tautomers related molecules: no related molecules available.