MMsINC Database Search


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

MMsINC code: MMs02860286

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₂

SMILES:

Clc1cc2c(N(CCOCC)C(=O)CN=C2c2ccccc2)cc1

InChI:

InChI=1/C19H19ClN2O2/c1-2-24-11-10-22-17-9-8-15(20)12-16(17)19(21-13-18(22)23)14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.34 kcal/mol

Physical Properties
Molecular Weight: 342.826 g/mol	logS: -5.00154	SlogP: 3.5605	Reactive groups: 0

Topological Properties
Globularity: 0.457885	Sterimol/B1: 2.44813	Sterimol/B2: 5.05647	Sterimol/B3: 6.03348
Sterimol/B4: 8.38451	Sterimol/L: 12.4911

Surface and Volume Properties
Accessible surface: 551.947	Positive charged surface: 330.857	Negative charged surface: 221.09	Volume: 322.75
Hydrophobic surface: 491.915	Hydrophilic surface: 60.032

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.