MMsINC Database Search


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MMsINC code: MMs01935105

Type: Neutral
Formula: C₂₃H₁₆ClFO₃

SMILES:

Clc1cc(F)ccc1COc1cc2OC(C)=C(C(=O)c2cc1)c1ccccc1

InChI:

InChI=1/C23H16ClFO3/c1-14-22(15-5-3-2-4-6-15)23(26)19-10-9-18(12-21(19)28-14)27-13-16-7-8-17(25)11-20(16)24/h2-12H,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.453 kcal/mol

Physical Properties
Molecular Weight: 394.829 g/mol	logS: -7.41299	SlogP: 6.3308	Reactive groups: 1

Topological Properties
Globularity: 0.018679	Sterimol/B1: 2.38739	Sterimol/B2: 3.01663	Sterimol/B3: 3.64702
Sterimol/B4: 7.29799	Sterimol/L: 20.7806

Surface and Volume Properties
Accessible surface: 646.113	Positive charged surface: 310.131	Negative charged surface: 335.982	Volume: 354.25
Hydrophobic surface: 609.59	Hydrophilic surface: 36.523

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.