MMsINC Database Search


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MMsINC code: MMs01807695

Type: Neutral
Formula: C₂₀H₁₈ClN₃O₃

SMILES:

Clc1ccccc1N1CCN(CC1)C(=O)CN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C20H18ClN3O3/c21-16-7-3-4-8-17(16)22-9-11-23(12-10-22)18(25)13-24-19(26)14-5-1-2-6-15(14)20(24)27/h1-8H,9-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.835 kcal/mol

Physical Properties
Molecular Weight: 383.835 g/mol	logS: -4.60619	SlogP: 2.2848	Reactive groups: 0

Topological Properties
Globularity: 0.0419	Sterimol/B1: 3.14929	Sterimol/B2: 3.54195	Sterimol/B3: 3.73644
Sterimol/B4: 5.9616	Sterimol/L: 19.36

Surface and Volume Properties
Accessible surface: 621.233	Positive charged surface: 347.12	Negative charged surface: 274.113	Volume: 344.5
Hydrophobic surface: 506.209	Hydrophilic surface: 115.024

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.