MMsINC Database Search


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MMsINC code: MMs00510566

Type: Neutral
Formula: C₁₉H₁₈Cl₂N₂O₂

SMILES:

Clc1cccc(N2CC(CC2=O)C(=O)Nc2cccc(Cl)c2C)c1C

InChI:

InChI=1/C19H18Cl2N2O2/c1-11-14(20)5-3-7-16(11)22-19(25)13-9-18(24)23(10-13)17-8-4-6-15(21)12(17)2/h3-8,13H,9-10H2,1-2H3,(H,22,25)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4582 kcal/mol

Physical Properties
Molecular Weight: 377.271 g/mol	logS: -5.05417	SlogP: 4.60184	Reactive groups: 0

Topological Properties
Globularity: 0.0724004	Sterimol/B1: 2.19517	Sterimol/B2: 3.09009	Sterimol/B3: 4.68483
Sterimol/B4: 6.47971	Sterimol/L: 18.301

Surface and Volume Properties
Accessible surface: 601.673	Positive charged surface: 288.786	Negative charged surface: 312.887	Volume: 337.375
Hydrophobic surface: 537.38	Hydrophilic surface: 64.293

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.