MMsINC Database Search


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MMsINC code: MMs00685943

Type: Neutral
Formula: C₁₉H₁₈Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1NC(=O)C1CC(=O)N(C1)c1ccc(cc1)CC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4785 kcal/mol

Physical Properties
Molecular Weight: 377.271 g/mol	logS: -5.72237	SlogP: 4.54737	Reactive groups: 0

Topological Properties
Globularity: 0.0632515	Sterimol/B1: 3.71437	Sterimol/B2: 3.71959	Sterimol/B3: 3.86863
Sterimol/B4: 7.6375	Sterimol/L: 17.2262

Surface and Volume Properties
Accessible surface: 621.22	Positive charged surface: 310.051	Negative charged surface: 311.169	Volume: 337.75
Hydrophobic surface: 539.366	Hydrophilic surface: 81.854

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.