MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01992985

Type: Neutral
Formula: C₁₀H₁₂ClNO₂

SMILES:

Clc1ccc(cc1)C(=O)NCCOC

InChI:

InChI=1/C10H12ClNO2/c1-14-7-6-12-10(13)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.4461 kcal/mol

Physical Properties
Molecular Weight: 213.664 g/mol	logS: -2.40794	SlogP: 1.7162	Reactive groups: 0

Topological Properties
Globularity: 0.0285073	Sterimol/B1: 2.33803	Sterimol/B2: 2.82985	Sterimol/B3: 3.33593
Sterimol/B4: 5.55102	Sterimol/L: 14.355

Surface and Volume Properties
Accessible surface: 433.641	Positive charged surface: 265.77	Negative charged surface: 167.871	Volume: 200.375
Hydrophobic surface: 384.497	Hydrophilic surface: 49.144

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.