MMsINC Database Search


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MMsINC code: MMs01618573

Type: Neutral
Formula: C₁₉H₁₈Cl₂N₂O₂

SMILES:

Clc1cc(ccc1Cl)CC(=O)N1CCN(CC1)C(=O)c1ccccc1

InChI:

InChI=1/C19H18Cl2N2O2/c20-16-7-6-14(12-17(16)21)13-18(24)22-8-10-23(11-9-22)19(25)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.781 kcal/mol

Physical Properties
Molecular Weight: 377.271 g/mol	logS: -4.93839	SlogP: 3.52047	Reactive groups: 0

Topological Properties
Globularity: 0.0751106	Sterimol/B1: 2.50996	Sterimol/B2: 3.49303	Sterimol/B3: 5.07909
Sterimol/B4: 6.57288	Sterimol/L: 18.6469

Surface and Volume Properties
Accessible surface: 614.723	Positive charged surface: 322.068	Negative charged surface: 292.655	Volume: 339
Hydrophobic surface: 555.016	Hydrophilic surface: 59.707

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.