MMsINC Database Search


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MMsINC code: MMs02836586

Type: Neutral
Formula: C₁₉H₁₅ClN₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C)C(=O)N(C1=O)c1cc(ccc1)C(OC)=O

InChI:

InChI=1/C19H15ClN2O4/c1-11-5-3-7-13(9-11)21-16-15(20)17(23)22(18(16)24)14-8-4-6-12(10-14)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)=105.176 kcal/mol

Physical Properties
Molecular Weight: 370.792 g/mol	logS: -5.86578	SlogP: 3.32622	Reactive groups: 1

Topological Properties
Globularity: 0.0344639	Sterimol/B1: 2.92573	Sterimol/B2: 3.91895	Sterimol/B3: 4.14924
Sterimol/B4: 6.64575	Sterimol/L: 19.5036

Surface and Volume Properties
Accessible surface: 614.358	Positive charged surface: 334.514	Negative charged surface: 279.844	Volume: 327.375
Hydrophobic surface: 498.134	Hydrophilic surface: 116.224

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.