MMsINC Database Search


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MMsINC code: MMs01525067

Type: Neutral
Formula: C₂₀H₁₂ClFO₃

SMILES:

Clc1cc(ccc1)C(Oc1ccc(cc1)C(=O)c1ccc(F)cc1)=O

InChI:

InChI=1/C20H12ClFO3/c21-16-3-1-2-15(12-16)20(24)25-18-10-6-14(7-11-18)19(23)13-4-8-17(22)9-5-13/h1-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.597 kcal/mol

Physical Properties
Molecular Weight: 354.764 g/mol	logS: -6.60102	SlogP: 4.9293	Reactive groups: 0

Topological Properties
Globularity: 0.0231879	Sterimol/B1: 2.21418	Sterimol/B2: 2.949	Sterimol/B3: 4.24906
Sterimol/B4: 6.20644	Sterimol/L: 18.4467

Surface and Volume Properties
Accessible surface: 589.927	Positive charged surface: 254.052	Negative charged surface: 335.875	Volume: 311.125
Hydrophobic surface: 522.471	Hydrophilic surface: 67.456

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.