MMsINC Database Search


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MMsINC code: MMs01420496

Type: Neutral
Formula: C₁₆H₁₄N₂O₄

SMILES:

O(C(=O)c1ccc(cc1)-c1ccccc1)CC(=O)NC(=O)N

InChI:

InChI=1/C16H14N2O4/c17-16(21)18-14(19)10-22-15(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H3,17,18,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.267 kcal/mol

Physical Properties
Molecular Weight: 298.298 g/mol	logS: -4.70008	SlogP: 1.7053	Reactive groups: 0

Topological Properties
Globularity: 0.00180468	Sterimol/B1: 2.37414	Sterimol/B2: 2.37595	Sterimol/B3: 3.49754
Sterimol/B4: 5.41729	Sterimol/L: 19.424

Surface and Volume Properties
Accessible surface: 547.565	Positive charged surface: 292.492	Negative charged surface: 244.002	Volume: 272.125
Hydrophobic surface: 344.833	Hydrophilic surface: 202.732

Pharmacophoric Properties
Hydrogen bond donors: 2	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.