MMsINC Database Search


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

MMsINC code: MMs00465725

Type: Neutral
Formula: C₁₉H₁₅ClO

SMILES:

Clc1ccccc1C(O)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C19H15ClO/c20-18-9-5-4-8-17(18)19(21)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,19,21H/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.7158 kcal/mol

Physical Properties
Molecular Weight: 294.781 g/mol	logS: -6.08447	SlogP: 5.1842	Reactive groups: 0

Topological Properties
Globularity: 0.100344	Sterimol/B1: 3.41805	Sterimol/B2: 3.60042	Sterimol/B3: 5.01879
Sterimol/B4: 5.05581	Sterimol/L: 15.3214

Surface and Volume Properties
Accessible surface: 519.339	Positive charged surface: 225.616	Negative charged surface: 282.652	Volume: 286
Hydrophobic surface: 481.926	Hydrophilic surface: 37.413

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.