MMsINC Database Search


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MMsINC code: MMs02709146

Type: Neutral
Formula: C₁₀H₁₀ClNO

SMILES:

Clc1ccccc1\C=C\C(=O)NC

InChI:

InChI=1/C10H10ClNO/c1-12-10(13)7-6-8-4-2-3-5-9(8)11/h2-7H,1H3,(H,12,13)/b7-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.5864 kcal/mol

Physical Properties
Molecular Weight: 195.649 g/mol	logS: -2.77112	SlogP: 2.0992	Reactive groups: 0

Topological Properties
Globularity: 0.00632545	Sterimol/B1: 2.37408	Sterimol/B2: 2.37591	Sterimol/B3: 3.92473
Sterimol/B4: 5.084	Sterimol/L: 13.4842

Surface and Volume Properties
Accessible surface: 408.633	Positive charged surface: 219.8	Negative charged surface: 188.833	Volume: 186.25
Hydrophobic surface: 348.697	Hydrophilic surface: 59.936

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.