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MMsINC code: MMs02354720

Type: Neutral
Formula: C₁₀H₁₂ClNO₂

SMILES:

ClCC(=O)C(N)Cc1ccc(O)cc1

InChI:

InChI=1/C10H12ClNO2/c11-6-10(14)9(12)5-7-1-3-8(13)4-2-7/h1-4,9,13H,5-6,12H2/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.9831 kcal/mol

Physical Properties
Molecular Weight: 213.664 g/mol	logS: -1.84595	SlogP: 1.06987	Reactive groups: 1

Topological Properties
Globularity: 0.059907	Sterimol/B1: 2.5501	Sterimol/B2: 2.91034	Sterimol/B3: 3.09091
Sterimol/B4: 4.99485	Sterimol/L: 14.1313

Surface and Volume Properties
Accessible surface: 410.029	Positive charged surface: 215.146	Negative charged surface: 194.884	Volume: 196.125
Hydrophobic surface: 213.074	Hydrophilic surface: 196.955

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

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Ions/Tautomers related molecules

MMs02354721
NCID-ZINC01731933