MMsINC Database Search


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MMsINC code: MMs00192558

Type: Neutral
Formula: C₁₉H₁₈Cl₂N₂O₂

SMILES:

Clc1cc(ccc1)C(=O)N1CCN(CC1C)C(=O)c1cc(Cl)ccc1

InChI:

InChI=1/C19H18Cl2N2O2/c1-13-12-22(18(24)14-4-2-6-16(20)10-14)8-9-23(13)19(25)15-5-3-7-17(21)11-15/h2-7,10-11,13H,8-9,12H2,1H3/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.102 kcal/mol

Physical Properties
Molecular Weight: 377.271 g/mol	logS: -5.20413	SlogP: 3.9801	Reactive groups: 0

Topological Properties
Globularity: 0.0839576	Sterimol/B1: 2.32078	Sterimol/B2: 3.8763	Sterimol/B3: 5.09039
Sterimol/B4: 5.69277	Sterimol/L: 17.4184

Surface and Volume Properties
Accessible surface: 599.419	Positive charged surface: 279.974	Negative charged surface: 319.445	Volume: 338.75
Hydrophobic surface: 522.087	Hydrophilic surface: 77.332

Pharmacophoric Properties
Hydrogen bond donors: 0	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.