MMsINC Database Search


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

MMsINC code: MMs00465726

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.7237 kcal/mol

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

Topological Properties
Globularity: 0.0988967	Sterimol/B1: 3.40344	Sterimol/B2: 3.59929	Sterimol/B3: 4.84422
Sterimol/B4: 4.92889	Sterimol/L: 15.3213

Surface and Volume Properties
Accessible surface: 518.26	Positive charged surface: 223.586	Negative charged surface: 283.602	Volume: 287.875
Hydrophobic surface: 481.667	Hydrophilic surface: 36.593

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.