MMsINC Database Search


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MMsINC code: MMs02836418

Type: Neutral
Formula: C₁₉H₁₅ClN₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(OC)=O)C(=O)N(C1=O)c1ccccc1C

InChI:

InChI=1/C19H15ClN2O4/c1-11-6-3-4-9-14(11)22-17(23)15(20)16(18(22)24)21-13-8-5-7-12(10-13)19(25)26-2/h3-10,21H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.269 kcal/mol

Physical Properties
Molecular Weight: 370.792 g/mol	logS: -5.55233	SlogP: 3.32622	Reactive groups: 1

Topological Properties
Globularity: 0.0661538	Sterimol/B1: 2.5835	Sterimol/B2: 3.04971	Sterimol/B3: 5.39907
Sterimol/B4: 7.17164	Sterimol/L: 17.9534

Surface and Volume Properties
Accessible surface: 605.854	Positive charged surface: 313.957	Negative charged surface: 291.897	Volume: 330.375
Hydrophobic surface: 487.144	Hydrophilic surface: 118.71

Pharmacophoric Properties
Hydrogen bond donors: 1	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.