MMsINC Database Search


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MMsINC code: MMs00844996

Type: Neutral
Formula: C₁₆H₁₄N₂O₄

SMILES:

OC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C16H14N2O4/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16(21)22/h2-9H,1H3,(H,17,19)(H,18,20)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.1615 kcal/mol

Physical Properties
Molecular Weight: 298.298 g/mol	logS: -3.53372	SlogP: 2.5955	Reactive groups: 0

Topological Properties
Globularity: 0.0186673	Sterimol/B1: 2.73753	Sterimol/B2: 3.0313	Sterimol/B3: 4.53089
Sterimol/B4: 5.21053	Sterimol/L: 17.1492

Surface and Volume Properties
Accessible surface: 526.513	Positive charged surface: 302.424	Negative charged surface: 224.089	Volume: 274.5
Hydrophobic surface: 360.429	Hydrophilic surface: 166.084

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00844997
CHEMDIV-ZINC00237445