MMsINC Database Search


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MMsINC code: MMs02347138

Type: Neutral
Formula: C₁₀H₆ClNO₂

SMILES:

Clc1cc(nc2c1cccc2)C(O)=O

InChI:

InChI=1/C10H6ClNO2/c11-7-5-9(10(13)14)12-8-4-2-1-3-6(7)8/h1-5H,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.3274 kcal/mol

Physical Properties
Molecular Weight: 207.616 g/mol	logS: -2.83003	SlogP: 2.5864	Reactive groups: 0

Topological Properties
Globularity: 1.11743e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09813	Sterimol/B3: 4.15467
Sterimol/B4: 5.48771	Sterimol/L: 11.5276

Surface and Volume Properties
Accessible surface: 373.558	Positive charged surface: 160.586	Negative charged surface: 207.436	Volume: 175.25
Hydrophobic surface: 249.546	Hydrophilic surface: 124.012

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

MMs02347139
NCID-ZINC01722733