MMsINC Database Search


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MMsINC code: MMs01178119

Type: Neutral
Formula: C₂₀H₂₆ClN₃O₃

SMILES:

Clc1cc(N2CN(CC2=O)C(=O)CN(C(=O)CCCCC)C2CC2)ccc1

InChI:

InChI=1/C20H26ClN3O3/c1-2-3-4-8-18(25)23(16-9-10-16)13-19(26)22-12-20(27)24(14-22)17-7-5-6-15(21)11-17/h5-7,11,16H,2-4,8-10,12-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2067 kcal/mol

Physical Properties
Molecular Weight: 391.899 g/mol	logS: -4.50994	SlogP: 3.044	Reactive groups: 0

Topological Properties
Globularity: 0.0623127	Sterimol/B1: 3.08567	Sterimol/B2: 4.17491	Sterimol/B3: 4.65787
Sterimol/B4: 8.18504	Sterimol/L: 20.3898

Surface and Volume Properties
Accessible surface: 683.898	Positive charged surface: 416.437	Negative charged surface: 267.461	Volume: 376.375
Hydrophobic surface: 523.554	Hydrophilic surface: 160.344

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.