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MMsINC code: MMs00478566

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₂

SMILES:

ClC1(CCCC)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H19ClN2O2/c1-2-3-14-19(20)17(23)21(15-10-6-4-7-11-15)22(18(19)24)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.763 kcal/mol

Physical Properties
Molecular Weight: 342.826 g/mol	logS: -5.95688	SlogP: 4.5691	Reactive groups: 0

Topological Properties
Globularity: 0.0852154	Sterimol/B1: 3.47987	Sterimol/B2: 4.93681	Sterimol/B3: 5.48168
Sterimol/B4: 5.5627	Sterimol/L: 15.4041

Surface and Volume Properties
Accessible surface: 576.393	Positive charged surface: 312.926	Negative charged surface: 263.467	Volume: 325.875
Hydrophobic surface: 453.18	Hydrophilic surface: 123.213

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.