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MMsINC code: MMs01935563

Type: Neutral
Formula: C₁₇H₁₉ClN₂O₃

SMILES:

Clc1cc2cc([nH]c2cc1)C(=O)N1CC(CCC1)C(OCC)=O

InChI:

InChI=1/C17H19ClN2O3/c1-2-23-17(22)11-4-3-7-20(10-11)16(21)15-9-12-8-13(18)5-6-14(12)19-15/h5-6,8-9,11,19H,2-4,7,10H2,1H3/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.5282 kcal/mol

Physical Properties
Molecular Weight: 334.803 g/mol	logS: -3.64637	SlogP: 3.2366	Reactive groups: 0

Topological Properties
Globularity: 0.0338067	Sterimol/B1: 2.29438	Sterimol/B2: 2.99295	Sterimol/B3: 3.33642
Sterimol/B4: 6.54019	Sterimol/L: 19.1893

Surface and Volume Properties
Accessible surface: 583.933	Positive charged surface: 342.204	Negative charged surface: 235.777	Volume: 305.75
Hydrophobic surface: 480.233	Hydrophilic surface: 103.7

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.