MMsINC Database Search


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MMsINC code: MMs01756155

Type: Neutral
Formula: C₁₉H₁₈Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)C2CC(=O)N(C2)c2cccc(C)c2C)ccc1Cl

InChI:

InChI=1/C19H18Cl2N2O2/c1-11-4-3-5-17(12(11)2)23-10-13(8-18(23)24)19(25)22-14-6-7-15(20)16(21)9-14/h3-7,9,13H,8,10H2,1-2H3,(H,22,25)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.6475 kcal/mol

Physical Properties
Molecular Weight: 377.271 g/mol	logS: -5.36762	SlogP: 4.60184	Reactive groups: 0

Topological Properties
Globularity: 0.0367165	Sterimol/B1: 3.05537	Sterimol/B2: 4.3192	Sterimol/B3: 5.09378
Sterimol/B4: 5.17259	Sterimol/L: 17.6456

Surface and Volume Properties
Accessible surface: 606.472	Positive charged surface: 290.689	Negative charged surface: 315.782	Volume: 338.375
Hydrophobic surface: 541.873	Hydrophilic surface: 64.599

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.