MMsINC Database Search


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MMsINC code: MMs00833537

Type: Ionized
Formula: C₁₀H₉ClNO₃-

SMILES:

Clc1ccccc1C(=O)NC(C(=O)[O-])C

InChI:

InChI=1/C10H10ClNO3/c1-6(10(14)15)12-9(13)7-4-2-3-5-8(7)11/h2-6H,1H3,(H,12,13)(H,14,15)/p-1/t6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.5633 kcal/mol

Physical Properties
Molecular Weight: 226.639 g/mol	logS: -2.8488	SlogP: 0.2082	Reactive groups: 0

Topological Properties
Globularity: 0.104027	Sterimol/B1: 2.35343	Sterimol/B2: 3.82446	Sterimol/B3: 4.92385
Sterimol/B4: 5.16106	Sterimol/L: 12.6343

Surface and Volume Properties
Accessible surface: 411.377	Positive charged surface: 182.801	Negative charged surface: 228.576	Volume: 196
Hydrophobic surface: 278.407	Hydrophilic surface: 132.97

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:

MMs00833536
CHEMDIV-ZINC00114833