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MMsINC code: MMs01534118

Type: Neutral
Formula: C₁₆H₁₂Cl₂NO₃-

SMILES:

Clc1cc(Cl)ccc1C(=O)NC(Cc1ccccc1)C(=O)[O-]

InChI:

InChI=1/C16H13Cl2NO3/c17-11-6-7-12(13(18)9-11)15(20)19-14(16(21)22)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,19,20)(H,21,22)/p-1/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.7128 kcal/mol

Physical Properties
Molecular Weight: 337.182 g/mol	logS: -5.08525	SlogP: 2.08437	Reactive groups: 0

Topological Properties
Globularity: 0.184744	Sterimol/B1: 2.50344	Sterimol/B2: 4.00684	Sterimol/B3: 4.85922
Sterimol/B4: 8.72896	Sterimol/L: 14.0376

Surface and Volume Properties
Accessible surface: 533.708	Positive charged surface: 210.654	Negative charged surface: 323.054	Volume: 290.75
Hydrophobic surface: 429.584	Hydrophilic surface: 104.124

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	Basic groups: 0
Chiral centers: 1

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

MMs01534119
ENAMINE-ZINC04206304