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MMsINC code: MMs01046731

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₃

SMILES:

Clc1cc2N(CC(Oc2cc1)C)C(=O)Nc1ccc(OCC)cc1

InChI:

InChI=1/C18H19ClN2O3/c1-3-23-15-7-5-14(6-8-15)20-18(22)21-11-12(2)24-17-9-4-13(19)10-16(17)21/h4-10,12H,3,11H2,1-2H3,(H,20,22)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.0119 kcal/mol

Physical Properties
Molecular Weight: 346.814 g/mol	logS: -4.78437	SlogP: 4.5581	Reactive groups: 0

Topological Properties
Globularity: 0.016184	Sterimol/B1: 2.66311	Sterimol/B2: 3.31627	Sterimol/B3: 5.77436
Sterimol/B4: 6.41953	Sterimol/L: 17.2535

Surface and Volume Properties
Accessible surface: 606.864	Positive charged surface: 357.782	Negative charged surface: 249.082	Volume: 319.125
Hydrophobic surface: 515.785	Hydrophilic surface: 91.079

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.