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MMsINC code: MMs00967433

Type: Neutral
Formula: C₁₇H₁₂Cl₂N₂O₃

SMILES:

Clc1cc(NC(=O)Cc2c3cc(Cl)ccc3[nH]c2C(O)=O)ccc1

InChI:

InChI=1/C17H12Cl2N2O3/c18-9-2-1-3-11(6-9)20-15(22)8-13-12-7-10(19)4-5-14(12)21-16(13)17(23)24/h1-7,21H,8H2,(H,20,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4307 kcal/mol

Physical Properties
Molecular Weight: 363.2 g/mol	logS: -5.29714	SlogP: 4.35407	Reactive groups: 0

Topological Properties
Globularity: 0.112563	Sterimol/B1: 2.40262	Sterimol/B2: 5.31539	Sterimol/B3: 5.74006
Sterimol/B4: 6.96117	Sterimol/L: 15.49

Surface and Volume Properties
Accessible surface: 578.609	Positive charged surface: 256.186	Negative charged surface: 318.872	Volume: 300.625
Hydrophobic surface: 431.581	Hydrophilic surface: 147.028

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

MMs00967434
CHEMDIV-ZINC04920228