MMsINC Database Search


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MMsINC code: MMs02833392

Type: Neutral
Formula: C₁₆H₁₀ClFN₂O₃

SMILES:

ClC1=C(Nc2ccccc2O)C(=O)N(C1=O)c1ccc(F)cc1

InChI:

InChI=1/C16H10ClFN2O3/c17-13-14(19-11-3-1-2-4-12(11)21)16(23)20(15(13)22)10-7-5-9(18)6-8-10/h1-8,19,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.6486 kcal/mol

Physical Properties
Molecular Weight: 332.718 g/mol	logS: -4.94316	SlogP: 3.0759	Reactive groups: 1

Topological Properties
Globularity: 0.0682961	Sterimol/B1: 2.18728	Sterimol/B2: 2.6651	Sterimol/B3: 4.93035
Sterimol/B4: 7.58877	Sterimol/L: 15.2129

Surface and Volume Properties
Accessible surface: 521.926	Positive charged surface: 232.093	Negative charged surface: 289.833	Volume: 275.5
Hydrophobic surface: 405.783	Hydrophilic surface: 116.143

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.