MMsINC Database Search


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MMsINC code: MMs01079702

Type: Neutral
Formula: C₁₅H₁₉ClN₂O₂

SMILES:

Clc1ccc(cc1)CNC(=O)C(=O)N1CCCCCC1

InChI:

InChI=1/C15H19ClN2O2/c16-13-7-5-12(6-8-13)11-17-14(19)15(20)18-9-3-1-2-4-10-18/h5-8H,1-4,9-11H2,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6999 kcal/mol

Physical Properties
Molecular Weight: 294.782 g/mol	logS: -3.2878	SlogP: 2.6252	Reactive groups: 0

Topological Properties
Globularity: 0.0805037	Sterimol/B1: 2.48574	Sterimol/B2: 3.7963	Sterimol/B3: 4.12502
Sterimol/B4: 5.04631	Sterimol/L: 16.521

Surface and Volume Properties
Accessible surface: 529.693	Positive charged surface: 329.93	Negative charged surface: 199.763	Volume: 277.25
Hydrophobic surface: 461.596	Hydrophilic surface: 68.097

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.