MMsINC Database Search


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MMsINC code: MMs01713588

Type: Neutral
Formula: C₁₃H₁₇ClN₂O₂

SMILES:

Clc1ccc(cc1)CC(=O)N(C(C)C)CC(=O)N

InChI:

InChI=1/C13H17ClN2O2/c1-9(2)16(8-12(15)17)13(18)7-10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3,(H2,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.7079 kcal/mol

Physical Properties
Molecular Weight: 268.744 g/mol	logS: -3.15376	SlogP: 1.60477	Reactive groups: 0

Topological Properties
Globularity: 0.133854	Sterimol/B1: 2.20546	Sterimol/B2: 3.78751	Sterimol/B3: 4.88303
Sterimol/B4: 5.65354	Sterimol/L: 13.9863

Surface and Volume Properties
Accessible surface: 491.511	Positive charged surface: 274.995	Negative charged surface: 216.516	Volume: 252.875
Hydrophobic surface: 337.349	Hydrophilic surface: 154.162

Pharmacophoric Properties
Hydrogen bond donors: 1	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.