MMsINC Database Search


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MMsINC code: MMs00589149

Type: Neutral
Formula: C₁₆H₁₈Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NC(CCC)C

InChI:

InChI=1/C16H18Cl2N2O2/c1-4-6-9(2)19-16(21)13-10(3)22-20-15(13)14-11(17)7-5-8-12(14)18/h5,7-9H,4,6H2,1-3H3,(H,19,21)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.367 kcal/mol

Physical Properties
Molecular Weight: 341.238 g/mol	logS: -5.72592	SlogP: 4.87522	Reactive groups: 0

Topological Properties
Globularity: 0.152744	Sterimol/B1: 3.95153	Sterimol/B2: 4.07205	Sterimol/B3: 5.52494
Sterimol/B4: 7.02641	Sterimol/L: 13.795

Surface and Volume Properties
Accessible surface: 549.738	Positive charged surface: 278.937	Negative charged surface: 270.801	Volume: 309.5
Hydrophobic surface: 469.033	Hydrophilic surface: 80.705

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.