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MMsINC code: MMs02708124

Type: Neutral
Formula: C₁₈H₁₅ClO₂

SMILES:

Clc1ccc(cc1)COc1ccc2c(cccc2)c1CO

InChI:

InChI=1/C18H15ClO2/c19-15-8-5-13(6-9-15)12-21-18-10-7-14-3-1-2-4-16(14)17(18)11-20/h1-10,20H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.8017 kcal/mol

Physical Properties
Molecular Weight: 298.769 g/mol	logS: -5.58635	SlogP: 5.0973	Reactive groups: 0

Topological Properties
Globularity: 0.0570225	Sterimol/B1: 3.64352	Sterimol/B2: 3.65268	Sterimol/B3: 4.18664
Sterimol/B4: 5.26501	Sterimol/L: 17.4228

Surface and Volume Properties
Accessible surface: 546.649	Positive charged surface: 276.447	Negative charged surface: 259.412	Volume: 282.875
Hydrophobic surface: 482.995	Hydrophilic surface: 63.654

Pharmacophoric Properties
Hydrogen bond donors: 1	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.