MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02313974

Type: Ionized
Formula: C₁₁H₁₀Cl₂NO₄-

SMILES:

ClC(Cl)C(=O)NC(C(O)c1ccccc1)C(=O)[O-]

InChI:

InChI=1/C11H11Cl2NO4/c12-9(13)10(16)14-7(11(17)18)8(15)6-4-2-1-3-5-6/h1-5,7-9,15H,(H,14,16)(H,17,18)/p-1/t7-,8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.9695 kcal/mol

Physical Properties
Molecular Weight: 291.11 g/mol	logS: -2.99605	SlogP: 0.2738	Reactive groups: 0

Topological Properties
Globularity: 0.0874253	Sterimol/B1: 3.47944	Sterimol/B2: 3.92764	Sterimol/B3: 4.05532
Sterimol/B4: 5.36809	Sterimol/L: 14.0549

Surface and Volume Properties
Accessible surface: 473.189	Positive charged surface: 156.348	Negative charged surface: 316.841	Volume: 234
Hydrophobic surface: 205.995	Hydrophilic surface: 267.194

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs02313973
NCID-ZINC01679399