MMsINC Database Search


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

MMsINC code: MMs00231138

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₃

SMILES:

Clc1cc(N2C(=O)C(N(C(=O)C)CCc3ccccc3)CC2=O)ccc1

InChI:

InChI=1/C20H19ClN2O3/c1-14(24)22(11-10-15-6-3-2-4-7-15)18-13-19(25)23(20(18)26)17-9-5-8-16(21)12-17/h2-9,12,18H,10-11,13H2,1H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.432 kcal/mol

Physical Properties
Molecular Weight: 370.836 g/mol	logS: -4.53665	SlogP: 3.06307	Reactive groups: 0

Topological Properties
Globularity: 0.0555346	Sterimol/B1: 2.53598	Sterimol/B2: 3.36812	Sterimol/B3: 4.21973
Sterimol/B4: 6.17843	Sterimol/L: 18.4439

Surface and Volume Properties
Accessible surface: 597.537	Positive charged surface: 288.341	Negative charged surface: 309.196	Volume: 341.625
Hydrophobic surface: 502.625	Hydrophilic surface: 94.912

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.