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MMsINC code: MMs00967442

Type: Neutral
Formula: C₁₈H₁₄Cl₂N₂O₄

SMILES:

Clc1cc(NC(=O)Cc2c3cc(Cl)ccc3[nH]c2C(O)=O)ccc1OC

InChI:

InChI=1/C18H14Cl2N2O4/c1-26-15-5-3-10(7-13(15)20)21-16(23)8-12-11-6-9(19)2-4-14(11)22-17(12)18(24)25/h2-7,22H,8H2,1H3,(H,21,23)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.1028 kcal/mol

Physical Properties
Molecular Weight: 393.226 g/mol	logS: -5.34752	SlogP: 4.36267	Reactive groups: 0

Topological Properties
Globularity: 0.134432	Sterimol/B1: 2.25215	Sterimol/B2: 5.90479	Sterimol/B3: 5.93438
Sterimol/B4: 6.69468	Sterimol/L: 15.9271

Surface and Volume Properties
Accessible surface: 617.63	Positive charged surface: 315.141	Negative charged surface: 298.492	Volume: 332
Hydrophobic surface: 466.671	Hydrophilic surface: 150.959

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00967443
CHEMDIV-ZINC04920244