MMsINC Database Search


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MMsINC code: MMs01980858

Type: Neutral
Formula: C₁₉H₁₅ClN₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(OC)=O)C(=O)N(C1=O)c1ccc(cc1)C

InChI:

InChI=1/C19H15ClN2O4/c1-11-6-8-14(9-7-11)22-17(23)15(20)16(18(22)24)21-13-5-3-4-12(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)=104.678 kcal/mol

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

Topological Properties
Globularity: 0.0312412	Sterimol/B1: 2.53718	Sterimol/B2: 2.79069	Sterimol/B3: 3.94454
Sterimol/B4: 8.44342	Sterimol/L: 18.9847

Surface and Volume Properties
Accessible surface: 611.406	Positive charged surface: 330.51	Negative charged surface: 280.895	Volume: 327.5
Hydrophobic surface: 496.168	Hydrophilic surface: 115.238

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.