MMsINC Database Search


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

MMsINC code: MMs03406752

Type: Neutral
Formula: C₁₉H₁₈Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1C(Nc1cc2CCCc2cc1C(=O)C)C(=O)N

InChI:

InChI=1/C19H18Cl2N2O2/c1-10(24)13-8-11-4-2-5-12(11)9-16(13)23-18(19(22)25)17-14(20)6-3-7-15(17)21/h3,6-9,18,23H,2,4-5H2,1H3,(H2,22,25)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.469 kcal/mol

Physical Properties
Molecular Weight: 377.271 g/mol	logS: -6.36967	SlogP: 4.41864	Reactive groups: 0

Topological Properties
Globularity: 0.0880809	Sterimol/B1: 2.31192	Sterimol/B2: 4.10645	Sterimol/B3: 4.16792
Sterimol/B4: 8.59032	Sterimol/L: 15.2333

Surface and Volume Properties
Accessible surface: 588.252	Positive charged surface: 318.328	Negative charged surface: 269.924	Volume: 331.875
Hydrophobic surface: 487.51	Hydrophilic surface: 100.742

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.