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MMsINC code: MMs00967455

Type: Neutral
Formula: C₁₇H₁₁Cl₂FN₂O₃

SMILES:

Clc1cc(F)ccc1NC(=O)Cc1c2cc(Cl)ccc2[nH]c1C(O)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.7099 kcal/mol

Physical Properties
Molecular Weight: 381.19 g/mol	logS: -5.59212	SlogP: 4.49317	Reactive groups: 0

Topological Properties
Globularity: 0.124577	Sterimol/B1: 2.46106	Sterimol/B2: 5.92356	Sterimol/B3: 6.10889
Sterimol/B4: 6.76	Sterimol/L: 14.7367

Surface and Volume Properties
Accessible surface: 580.02	Positive charged surface: 244.252	Negative charged surface: 332.305	Volume: 306.5
Hydrophobic surface: 441.324	Hydrophilic surface: 138.696

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00967456
CHEMDIV-ZINC04920266