MMsINC Database Search


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MMsINC code: MMs02596394

Type: Neutral
Formula: C₁₉H₁₅ClO

SMILES:

Clc1ccccc1COc1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C19H15ClO/c20-19-9-5-4-8-17(19)14-21-18-12-10-16(11-13-18)15-6-2-1-3-7-15/h1-13H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.0189 kcal/mol

Physical Properties
Molecular Weight: 294.781 g/mol	logS: -6.36383	SlogP: 5.8524	Reactive groups: 0

Topological Properties
Globularity: 0.00214321	Sterimol/B1: 2.37243	Sterimol/B2: 2.37766	Sterimol/B3: 4.30536
Sterimol/B4: 4.72114	Sterimol/L: 18.3647

Surface and Volume Properties
Accessible surface: 546.121	Positive charged surface: 243.38	Negative charged surface: 291.669	Volume: 292.375
Hydrophobic surface: 541.597	Hydrophilic surface: 4.524

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.