MMsINC Database Search


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MMsINC code: MMs02100767

Type: Neutral
Formula: C₁₅H₁₂ClFO₃

SMILES:

Clc1cccc(F)c1COc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C15H12ClFO3/c1-19-15(18)10-5-7-11(8-6-10)20-9-12-13(16)3-2-4-14(12)17/h2-8H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.4653 kcal/mol

Physical Properties
Molecular Weight: 294.709 g/mol	logS: -4.61416	SlogP: 4.1111	Reactive groups: 0

Topological Properties
Globularity: 0.0530061	Sterimol/B1: 2.50673	Sterimol/B2: 3.86231	Sterimol/B3: 4.74432
Sterimol/B4: 4.94848	Sterimol/L: 17.1073

Surface and Volume Properties
Accessible surface: 517.507	Positive charged surface: 277.655	Negative charged surface: 239.853	Volume: 258
Hydrophobic surface: 467.694	Hydrophilic surface: 49.813

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.