MMsINC Database Search


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MMsINC code: MMs01177579

Type: Neutral
Formula: C₂₀H₂₆ClN₃O₃

SMILES:

Clc1cc(N2CN(CC2=O)C(=O)CN(C(=O)C2CCC2)CC(C)C)ccc1

InChI:

InChI=1/C20H26ClN3O3/c1-14(2)10-22(20(27)15-5-3-6-15)11-18(25)23-12-19(26)24(13-23)17-8-4-7-16(21)9-17/h4,7-9,14-15H,3,5-6,10-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.4375 kcal/mol

Physical Properties
Molecular Weight: 391.899 g/mol	logS: -3.7576	SlogP: 2.7574	Reactive groups: 0

Topological Properties
Globularity: 0.0705753	Sterimol/B1: 3.39583	Sterimol/B2: 3.74203	Sterimol/B3: 5.34436
Sterimol/B4: 6.62799	Sterimol/L: 18.0853

Surface and Volume Properties
Accessible surface: 655.847	Positive charged surface: 289.359	Negative charged surface: 227.241	Volume: 373
Hydrophobic surface: 528.423	Hydrophilic surface: 127.424

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.