MMsINC Database Search


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MMsINC code: MMs00681326

Type: Neutral
Formula: C₁₈H₁₂ClFN₂O₄

SMILES:

Clc1cc(ccc1OCc1ccccc1F)C=C1C(=O)NC(=O)NC1=O

InChI:

InChI=1/C18H12ClFN2O4/c19-13-8-10(7-12-16(23)21-18(25)22-17(12)24)5-6-15(13)26-9-11-3-1-2-4-14(11)20/h1-8H,9H2,(H2,21,22,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.0517 kcal/mol

Physical Properties
Molecular Weight: 374.755 g/mol	logS: -5.65865	SlogP: 3.0739	Reactive groups: 0

Topological Properties
Globularity: 0.0252921	Sterimol/B1: 2.3515	Sterimol/B2: 3.51284	Sterimol/B3: 4.75262
Sterimol/B4: 5.03219	Sterimol/L: 18.1651

Surface and Volume Properties
Accessible surface: 581.499	Positive charged surface: 278.58	Negative charged surface: 302.919	Volume: 308.5
Hydrophobic surface: 395.084	Hydrophilic surface: 186.415

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.