MMsINC Database Search


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MMsINC code: MMs00511670

Type: Neutral
Formula: C₂₀H₁₇ClN₂O₃

SMILES:

Clc1ccc(N2C(=O)c3c(cccc3)C2=O)cc1C(=O)N1CCCCC1

InChI:

InChI=1/C20H17ClN2O3/c21-17-9-8-13(12-16(17)18(24)22-10-4-1-5-11-22)23-19(25)14-6-2-3-7-15(14)20(23)26/h2-3,6-9,12H,1,4-5,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.684 kcal/mol

Physical Properties
Molecular Weight: 368.82 g/mol	logS: -5.28717	SlogP: 3.7667	Reactive groups: 0

Topological Properties
Globularity: 0.0619378	Sterimol/B1: 3.48143	Sterimol/B2: 3.49401	Sterimol/B3: 4.08041
Sterimol/B4: 7.10773	Sterimol/L: 16.533

Surface and Volume Properties
Accessible surface: 579.613	Positive charged surface: 327.544	Negative charged surface: 252.069	Volume: 328.125
Hydrophobic surface: 487.224	Hydrophilic surface: 92.389

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.