MMsINC Database Search


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MMsINC code: MMs01989736

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

OC(=O)c1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccccc1

InChI:

InChI=1/C19H18N2O4/c22-17(14-6-2-1-3-7-14)20-10-12-21(13-11-20)18(23)15-8-4-5-9-16(15)19(24)25/h1-9H,10-13H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.018 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -3.37774	SlogP: 1.983	Reactive groups: 0

Topological Properties
Globularity: 0.135501	Sterimol/B1: 2.89295	Sterimol/B2: 3.90189	Sterimol/B3: 4.41505
Sterimol/B4: 7.08865	Sterimol/L: 14.395

Surface and Volume Properties
Accessible surface: 559.883	Positive charged surface: 339.688	Negative charged surface: 220.195	Volume: 313.875
Hydrophobic surface: 426.129	Hydrophilic surface: 133.754

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs01989737
IFLAB-ZINC02456509