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MMsINC code: MMs00939715

Type: Neutral
Formula: C₁₅H₁₇ClN₂O₃

SMILES:

Clc1cc2c([nH]c(C(O)=O)c2CC(=O)N(CC)CC)cc1

InChI:

InChI=1/C15H17ClN2O3/c1-3-18(4-2)13(19)8-11-10-7-9(16)5-6-12(10)17-14(11)15(20)21/h5-7,17H,3-4,8H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.3589 kcal/mol

Physical Properties
Molecular Weight: 308.765 g/mol	logS: -3.28742	SlogP: 2.93037	Reactive groups: 0

Topological Properties
Globularity: 0.131103	Sterimol/B1: 2.46505	Sterimol/B2: 4.89554	Sterimol/B3: 4.94697
Sterimol/B4: 7.36915	Sterimol/L: 12.7472

Surface and Volume Properties
Accessible surface: 528.062	Positive charged surface: 296.672	Negative charged surface: 228.359	Volume: 282.125
Hydrophobic surface: 359.656	Hydrophilic surface: 168.406

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00939716
CHEMDIV-ZINC04652871