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MMsINC code: MMs01588819

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₃

SMILES:

Clc1cc(NC2CC(=O)N(CCc3ccccc3)C2=O)ccc1OC

InChI:

InChI=1/C19H19ClN2O3/c1-25-17-8-7-14(11-15(17)20)21-16-12-18(23)22(19(16)24)10-9-13-5-3-2-4-6-13/h2-8,11,16,21H,9-10,12H2,1H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.8728 kcal/mol

Physical Properties
Molecular Weight: 358.825 g/mol	logS: -4.28003	SlogP: 3.13067	Reactive groups: 0

Topological Properties
Globularity: 0.0554295	Sterimol/B1: 3.10527	Sterimol/B2: 3.40833	Sterimol/B3: 5.47063
Sterimol/B4: 7.59661	Sterimol/L: 18.4529

Surface and Volume Properties
Accessible surface: 622.441	Positive charged surface: 362.039	Negative charged surface: 260.402	Volume: 334.375
Hydrophobic surface: 537.603	Hydrophilic surface: 84.838

Pharmacophoric Properties
Hydrogen bond donors: 1	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.