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MMsINC code: MMs02980595

Type: Neutral
Formula: C₁₅H₁₉ClN₂O₃

SMILES:

Clc1ccc(cc1)C(=O)NCCC(=O)NCC1OCCC1

InChI:

InChI=1/C15H19ClN2O3/c16-12-5-3-11(4-6-12)15(20)17-8-7-14(19)18-10-13-2-1-9-21-13/h3-6,13H,1-2,7-10H2,(H,17,20)(H,18,19)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.6971 kcal/mol

Physical Properties
Molecular Weight: 310.781 g/mol	logS: -3.01481	SlogP: 1.7551	Reactive groups: 0

Topological Properties
Globularity: 0.0175301	Sterimol/B1: 2.86293	Sterimol/B2: 2.95041	Sterimol/B3: 3.32758
Sterimol/B4: 5.27559	Sterimol/L: 20.4054

Surface and Volume Properties
Accessible surface: 579.22	Positive charged surface: 361.474	Negative charged surface: 217.746	Volume: 289.25
Hydrophobic surface: 483.268	Hydrophilic surface: 95.952

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.