MMsINC Database Search


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MMsINC code: MMs02835884

Type: Neutral
Formula: C₁₇H₁₀ClFN₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(O)=O)C(=O)N(C1=O)c1ccc(F)cc1

InChI:

InChI=1/C17H10ClFN2O4/c18-13-14(20-11-3-1-2-9(8-11)17(24)25)16(23)21(15(13)22)12-6-4-10(19)5-7-12/h1-8,20H,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.8363 kcal/mol

Physical Properties
Molecular Weight: 360.728 g/mol	logS: -5.27451	SlogP: 3.0685	Reactive groups: 1

Topological Properties
Globularity: 0.0880687	Sterimol/B1: 2.6207	Sterimol/B2: 4.56063	Sterimol/B3: 5.66664
Sterimol/B4: 5.79933	Sterimol/L: 14.959

Surface and Volume Properties
Accessible surface: 552.15	Positive charged surface: 241.03	Negative charged surface: 311.119	Volume: 294
Hydrophobic surface: 384.304	Hydrophilic surface: 167.846

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02835885
PUBCHEM-ZINC01971634