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MMsINC code: MMs00614213

Type: Neutral
Formula: C₁₉H₁₆ClNO₃

SMILES:

Clc1ccc(cc1)C1N(C)C(=O)C(=O)C1C(=O)c1ccc(cc1)C

InChI:

InChI=1/C19H16ClNO3/c1-11-3-5-13(6-4-11)17(22)15-16(21(2)19(24)18(15)23)12-7-9-14(20)10-8-12/h3-10,15-16H,1-2H3/t15-,16+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.7238 kcal/mol

Physical Properties
Molecular Weight: 341.794 g/mol	logS: -4.96915	SlogP: 3.32522	Reactive groups: 0

Topological Properties
Globularity: 0.120242	Sterimol/B1: 3.26456	Sterimol/B2: 4.2162	Sterimol/B3: 5.66143
Sterimol/B4: 6.05734	Sterimol/L: 14.8435

Surface and Volume Properties
Accessible surface: 575.051	Positive charged surface: 283.191	Negative charged surface: 291.86	Volume: 314.25
Hydrophobic surface: 471.908	Hydrophilic surface: 103.143

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00614214
CHEMBRIDGE-ZINC00435490