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MMsINC code: MMs01275682

Type: Neutral
Formula: C₁₇H₂₁ClN₂O₃

SMILES:

Clc1ccccc1OCCN1C(=O)C(NC1=O)C1CCCCC1

InChI:

InChI=1/C17H21ClN2O3/c18-13-8-4-5-9-14(13)23-11-10-20-16(21)15(19-17(20)22)12-6-2-1-3-7-12/h4-5,8-9,12,15H,1-3,6-7,10-11H2,(H,19,22)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.5405 kcal/mol

Physical Properties
Molecular Weight: 336.819 g/mol	logS: -4.78787	SlogP: 3.2195	Reactive groups: 0

Topological Properties
Globularity: 0.0668352	Sterimol/B1: 2.34708	Sterimol/B2: 4.13972	Sterimol/B3: 4.39614
Sterimol/B4: 5.11604	Sterimol/L: 17.2462

Surface and Volume Properties
Accessible surface: 561.57	Positive charged surface: 352.264	Negative charged surface: 209.306	Volume: 313
Hydrophobic surface: 484.933	Hydrophilic surface: 76.637

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.