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MMsINC code: MMs03957649

Type: Ionized
Formula: C₁₅H₁₀Cl₂NO₃-

SMILES:

Clc1cc(C(=O)[O-])c(NC(=O)Cc2ccc(Cl)cc2)cc1

InChI:

InChI=1/C15H11Cl2NO3/c16-10-3-1-9(2-4-10)7-14(19)18-13-6-5-11(17)8-12(13)15(20)21/h1-6,8H,7H2,(H,18,19)(H,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.3396 kcal/mol

Physical Properties
Molecular Weight: 323.155 g/mol	logS: -5.11477	SlogP: 2.53807	Reactive groups: 0

Topological Properties
Globularity: 0.0598482	Sterimol/B1: 2.45001	Sterimol/B2: 4.46004	Sterimol/B3: 4.89907
Sterimol/B4: 4.91249	Sterimol/L: 17.4346

Surface and Volume Properties
Accessible surface: 531.048	Positive charged surface: 202.531	Negative charged surface: 328.518	Volume: 272
Hydrophobic surface: 423.596	Hydrophilic surface: 107.452

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	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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Parent related molecule:

MMs03957648
VITASM-ZINC04695767