MMsINC Database Search


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MMsINC code: MMs02604520

Type: Neutral
Formula: C₂₀H₁₀ClFO₅

SMILES:

Clc1cc2c(OC(=C(OC(=O)c3ccccc3F)C2=O)c2occc2)cc1

InChI:

InChI=1/C20H10ClFO5/c21-11-7-8-15-13(10-11)17(23)19(18(26-15)16-6-3-9-25-16)27-20(24)12-4-1-2-5-14(12)22/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.8097 kcal/mol

Physical Properties
Molecular Weight: 384.746 g/mol	logS: -7.47942	SlogP: 4.873	Reactive groups: 1

Topological Properties
Globularity: 0.0591653	Sterimol/B1: 2.46693	Sterimol/B2: 4.052	Sterimol/B3: 5.25936
Sterimol/B4: 7.78126	Sterimol/L: 16.6411

Surface and Volume Properties
Accessible surface: 589.494	Positive charged surface: 262.922	Negative charged surface: 326.573	Volume: 318.25
Hydrophobic surface: 532.301	Hydrophilic surface: 57.193

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.