MMsINC Database Search


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MMsINC code: MMs02103444

Type: Neutral
Formula: C₁₉H₁₅ClO₂

SMILES:

Clc1ccccc1-c1oc(cc1)\C=C(/OC)\c1ccccc1

InChI:

InChI=1/C19H15ClO2/c1-21-19(14-7-3-2-4-8-14)13-15-11-12-18(22-15)16-9-5-6-10-17(16)20/h2-13H,1H3/b19-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.4056 kcal/mol

Physical Properties
Molecular Weight: 310.78 g/mol	logS: -6.59961	SlogP: 5.7445	Reactive groups: 0

Topological Properties
Globularity: 0.103936	Sterimol/B1: 3.23334	Sterimol/B2: 4.20056	Sterimol/B3: 4.6897
Sterimol/B4: 6.13874	Sterimol/L: 15.0788

Surface and Volume Properties
Accessible surface: 525.049	Positive charged surface: 310.398	Negative charged surface: 214.651	Volume: 298.375
Hydrophobic surface: 518.04	Hydrophilic surface: 7.009

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.