MMsINC Database Search


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MMsINC code: MMs03764469

Type: Neutral
Formula: C₁₅H₁₁Cl₂FN₂O₃

SMILES:

Clc1cccc(F)c1C(=O)NC(=O)Nc1ccc(Cl)cc1OC

InChI:

InChI=1/C15H11Cl2FN2O3/c1-23-12-7-8(16)5-6-11(12)19-15(22)20-14(21)13-9(17)3-2-4-10(13)18/h2-7H,1H3,(H2,19,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5781 kcal/mol

Physical Properties
Molecular Weight: 357.168 g/mol	logS: -5.39734	SlogP: 4.103	Reactive groups: 0

Topological Properties
Globularity: 0.0425317	Sterimol/B1: 2.5277	Sterimol/B2: 3.72452	Sterimol/B3: 4.03694
Sterimol/B4: 7.42883	Sterimol/L: 17.3019

Surface and Volume Properties
Accessible surface: 567.255	Positive charged surface: 266.901	Negative charged surface: 300.354	Volume: 289.5
Hydrophobic surface: 480.423	Hydrophilic surface: 86.832

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.