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MMsINC code: MMs02179835

Type: Ionized
Formula: C₁₀H₁₀ClO₂-

SMILES:

ClC(C(=O)[O-])(C)c1ccc(cc1)C

InChI:

InChI=1/C10H11ClO2/c1-7-3-5-8(6-4-7)10(2,11)9(12)13/h3-6H,1-2H3,(H,12,13)/p-1/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.0907 kcal/mol

Physical Properties
Molecular Weight: 197.641 g/mol	logS: -3.18114	SlogP: 1.51042	Reactive groups: 0

Topological Properties
Globularity: 0.0773452	Sterimol/B1: 3.51278	Sterimol/B2: 3.56892	Sterimol/B3: 4.07037
Sterimol/B4: 4.41172	Sterimol/L: 11.1604

Surface and Volume Properties
Accessible surface: 385.758	Positive charged surface: 174.844	Negative charged surface: 210.914	Volume: 183.5
Hydrophobic surface: 246.812	Hydrophilic surface: 138.946

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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:

MMs02179834
MDPI-ZINC03846358