MMsINC Database Search


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MMsINC code: MMs00723471

Type: Neutral
Formula: C₁₅H₁₁ClFNO₄

SMILES:

Clc1cc(NC(=O)COc2ccc(F)cc2)c(cc1)C(O)=O

InChI:

InChI=1/C15H11ClFNO4/c16-9-1-6-12(15(20)21)13(7-9)18-14(19)8-22-11-4-2-10(17)3-5-11/h1-7H,8H2,(H,18,19)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.0841 kcal/mol

Physical Properties
Molecular Weight: 323.707 g/mol	logS: -4.43036	SlogP: 3.1948	Reactive groups: 0

Topological Properties
Globularity: 0.0149324	Sterimol/B1: 2.097	Sterimol/B2: 3.29187	Sterimol/B3: 4.47489
Sterimol/B4: 6.50158	Sterimol/L: 16.4993

Surface and Volume Properties
Accessible surface: 533.532	Positive charged surface: 255.905	Negative charged surface: 277.627	Volume: 267.875
Hydrophobic surface: 403.822	Hydrophilic surface: 129.71

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

MMs00723472
CHEMBRIDGE-ZINC02838375