MMsINC Database Search


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

MMsINC code: MMs03301228

Type: Neutral
Formula: C₁₃H₁₃ClN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)N(C)C

InChI:

InChI=1/C13H13ClN2O2/c1-8-11(13(17)16(2)3)12(15-18-8)9-6-4-5-7-10(9)14/h4-7H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.2589 kcal/mol

Physical Properties
Molecular Weight: 264.712 g/mol	logS: -3.51423	SlogP: 3.00522	Reactive groups: 0

Topological Properties
Globularity: 0.206671	Sterimol/B1: 2.91409	Sterimol/B2: 3.08406	Sterimol/B3: 4.6591
Sterimol/B4: 6.69284	Sterimol/L: 11.9548

Surface and Volume Properties
Accessible surface: 463.764	Positive charged surface: 258.159	Negative charged surface: 205.604	Volume: 243
Hydrophobic surface: 422.95	Hydrophilic surface: 40.814

Pharmacophoric Properties
Hydrogen bond donors: 0	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.