MMsINC Database Search


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MMsINC code: MMs02901700

Type: Ionized
Formula: C₁₁H₁₀Cl₂NO₃-

SMILES:

ClC(Cl)C(=O)NC(Cc1ccccc1)C(=O)[O-]

InChI:

InChI=1/C11H11Cl2NO3/c12-9(13)10(15)14-8(11(16)17)6-7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,14,15)(H,16,17)/p-1/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.0133 kcal/mol

Physical Properties
Molecular Weight: 275.111 g/mol	logS: -3.26006	SlogP: 0.68737	Reactive groups: 0

Topological Properties
Globularity: 0.217782	Sterimol/B1: 3.62784	Sterimol/B2: 3.67285	Sterimol/B3: 5.13231
Sterimol/B4: 5.5945	Sterimol/L: 11.124

Surface and Volume Properties
Accessible surface: 444.233	Positive charged surface: 176.087	Negative charged surface: 268.146	Volume: 231.5
Hydrophobic surface: 213.674	Hydrophilic surface: 230.559

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

search links for this molecule:

Parent related molecule:

MMs02901699
PUBCHEM-ZINC02564521