MMsINC Database Search


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MMsINC code: MMs01343254

Type: Neutral
Formula: C₁₉H₁₅ClO

SMILES:

Clc1cc(Oc2ccc(cc2)-c2ccc(cc2)C)ccc1

InChI:

InChI=1/C19H15ClO/c1-14-5-7-15(8-6-14)16-9-11-18(12-10-16)21-19-4-2-3-17(20)13-19/h2-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3947 kcal/mol

Physical Properties
Molecular Weight: 294.781 g/mol	logS: -6.80218	SlogP: 6.10772	Reactive groups: 0

Topological Properties
Globularity: 0.0453983	Sterimol/B1: 3.06553	Sterimol/B2: 3.12527	Sterimol/B3: 3.74238
Sterimol/B4: 4.87494	Sterimol/L: 18.5803

Surface and Volume Properties
Accessible surface: 549.27	Positive charged surface: 250.413	Negative charged surface: 287.999	Volume: 290.25
Hydrophobic surface: 549.27	Hydrophilic surface: 0

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