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MMsINC code: MMs02855712

Type: Neutral
Formula: C₁₀H₁₀ClNO₂

SMILES:

Cl\C(=C\C(=O)Nc1ccc(O)cc1)\C

InChI:

InChI=1/C10H10ClNO2/c1-7(11)6-10(14)12-8-2-4-9(13)5-3-8/h2-6,13H,1H3,(H,12,14)/b7-6-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3611 kcal/mol

Physical Properties
Molecular Weight: 211.648 g/mol	logS: -2.56903	SlogP: 2.5822	Reactive groups: 0

Topological Properties
Globularity: 0.0179737	Sterimol/B1: 2.52564	Sterimol/B2: 2.74223	Sterimol/B3: 3.92779
Sterimol/B4: 4.07016	Sterimol/L: 14.0742

Surface and Volume Properties
Accessible surface: 410.911	Positive charged surface: 224.595	Negative charged surface: 186.316	Volume: 190.5
Hydrophobic surface: 323.635	Hydrophilic surface: 87.276

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: no related molecules available.