MMsINC Database Search


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MMsINC code: MMs00132971

Type: Neutral
Formula: C₁₇H₁₉ClN₂O₃

SMILES:

Clc1ccc(cc1)C(=O)Nc1cc(OCC)c(N)cc1OCC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.8013 kcal/mol

Physical Properties
Molecular Weight: 334.803 g/mol	logS: -4.56522	SlogP: 3.9719	Reactive groups: 0

Topological Properties
Globularity: 0.0260311	Sterimol/B1: 2.42022	Sterimol/B2: 2.55102	Sterimol/B3: 2.80022
Sterimol/B4: 11.8725	Sterimol/L: 16.1395

Surface and Volume Properties
Accessible surface: 606.961	Positive charged surface: 372.463	Negative charged surface: 234.498	Volume: 311
Hydrophobic surface: 468.799	Hydrophilic surface: 138.162

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.