MMsINC Database Search


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MMsINC code: MMs00635339

Type: Neutral
Formula: C₁₆H₁₂N₂O₄

SMILES:

Oc1ccccc1NC(=O)c1cc2c(cc1)C(=O)N(C)C2=O

InChI:

InChI=1/C16H12N2O4/c1-18-15(21)10-7-6-9(8-11(10)16(18)22)14(20)17-12-4-2-3-5-13(12)19/h2-8,19H,1H3,(H,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.7611 kcal/mol

Physical Properties
Molecular Weight: 296.282 g/mol	logS: -3.54277	SlogP: 1.8703	Reactive groups: 0

Topological Properties
Globularity: 0.015394	Sterimol/B1: 2.5411	Sterimol/B2: 2.85063	Sterimol/B3: 3.54467
Sterimol/B4: 4.82267	Sterimol/L: 17.0189

Surface and Volume Properties
Accessible surface: 512.804	Positive charged surface: 304.147	Negative charged surface: 208.657	Volume: 265.25
Hydrophobic surface: 345.297	Hydrophilic surface: 167.507

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: no related molecules available.