MMsINC Database Search


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MMsINC code: MMs00255975

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₃

SMILES:

Clc1ccc(N(C(=O)C)CCCCN2C(=O)c3c(cccc3)C2=O)cc1

InChI:

InChI=1/C20H19ClN2O3/c1-14(24)22(16-10-8-15(21)9-11-16)12-4-5-13-23-19(25)17-6-2-3-7-18(17)20(23)26/h2-3,6-11H,4-5,12-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8355 kcal/mol

Physical Properties
Molecular Weight: 370.836 g/mol	logS: -4.97036	SlogP: 3.7693	Reactive groups: 0

Topological Properties
Globularity: 0.053453	Sterimol/B1: 2.37967	Sterimol/B2: 3.49053	Sterimol/B3: 3.9292
Sterimol/B4: 9.06478	Sterimol/L: 18.616

Surface and Volume Properties
Accessible surface: 632.215	Positive charged surface: 326.216	Negative charged surface: 305.999	Volume: 344
Hydrophobic surface: 520.522	Hydrophilic surface: 111.693

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.