MMsINC Database Search


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MMsINC code: MMs00805586

Type: Neutral
Formula: C₁₇H₁₁Cl₂FN₂O₃

SMILES:

Clc1cc2c(cc1Cl)C(=O)N(CCC(=O)Nc1ccc(F)cc1)C2=O

InChI:

InChI=1/C17H11Cl2FN2O3/c18-13-7-11-12(8-14(13)19)17(25)22(16(11)24)6-5-15(23)21-10-3-1-9(20)2-4-10/h1-4,7-8H,5-6H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.165 kcal/mol

Physical Properties
Molecular Weight: 381.19 g/mol	logS: -5.57664	SlogP: 3.7573	Reactive groups: 0

Topological Properties
Globularity: 0.0345209	Sterimol/B1: 3.07663	Sterimol/B2: 3.18395	Sterimol/B3: 3.6875
Sterimol/B4: 4.63932	Sterimol/L: 19.4832

Surface and Volume Properties
Accessible surface: 592.187	Positive charged surface: 252.863	Negative charged surface: 339.323	Volume: 307.25
Hydrophobic surface: 473.783	Hydrophilic surface: 118.404

Pharmacophoric Properties
Hydrogen bond donors: 1	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.