MMsINC Database Search


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

MMsINC code: MMs02246216

Type: Neutral
Formula: C₁₁H₁₀ClNO₂

SMILES:

Clc1c2c(ncc1)c(OC)c(OC)cc2

InChI:

InChI=1/C11H10ClNO2/c1-14-9-4-3-7-8(12)5-6-13-10(7)11(9)15-2/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8678 kcal/mol

Physical Properties
Molecular Weight: 223.659 g/mol	logS: -2.80847	SlogP: 2.9054	Reactive groups: 0

Topological Properties
Globularity: 0.0355284	Sterimol/B1: 2.34248	Sterimol/B2: 2.73001	Sterimol/B3: 4.16714
Sterimol/B4: 6.26124	Sterimol/L: 12.2572

Surface and Volume Properties
Accessible surface: 413.285	Positive charged surface: 276.773	Negative charged surface: 130.976	Volume: 201.5
Hydrophobic surface: 384.569	Hydrophilic surface: 28.716

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.