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MMsINC code: MMs01715999

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₃

SMILES:

Clc1ccc(cc1)CCNC(=O)CNC(=O)c1ccccc1OC

InChI:

InChI=1/C18H19ClN2O3/c1-24-16-5-3-2-4-15(16)18(23)21-12-17(22)20-11-10-13-6-8-14(19)9-7-13/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.9316 kcal/mol

Physical Properties
Molecular Weight: 346.814 g/mol	logS: -4.31762	SlogP: 2.43727	Reactive groups: 0

Topological Properties
Globularity: 0.0246317	Sterimol/B1: 2.57282	Sterimol/B2: 3.61743	Sterimol/B3: 3.61939
Sterimol/B4: 7.0162	Sterimol/L: 20.5719

Surface and Volume Properties
Accessible surface: 632.793	Positive charged surface: 375.339	Negative charged surface: 257.454	Volume: 326.5
Hydrophobic surface: 536.795	Hydrophilic surface: 95.998

Pharmacophoric Properties
Hydrogen bond donors: 2	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.