MMsINC Database Search


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MMsINC code: MMs01931623

Type: Neutral
Formula: C₁₉H₁₄N₂O₅

SMILES:

O1C(c2c(cccc2)C1=O)C1C(=O)N(c2ccccc2C)C(=O)NC1=O

InChI:

InChI=1/C19H14N2O5/c1-10-6-2-5-9-13(10)21-17(23)14(16(22)20-19(21)25)15-11-7-3-4-8-12(11)18(24)26-15/h2-9,14-15H,1H3,(H,20,22,25)/t14-,15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.6815 kcal/mol

Physical Properties
Molecular Weight: 350.33 g/mol	logS: -4.46108	SlogP: 2.20122	Reactive groups: 0

Topological Properties
Globularity: 0.0838562	Sterimol/B1: 2.79891	Sterimol/B2: 3.47406	Sterimol/B3: 4.44323
Sterimol/B4: 6.02392	Sterimol/L: 16.3091

Surface and Volume Properties
Accessible surface: 529.812	Positive charged surface: 281.429	Negative charged surface: 248.383	Volume: 306.25
Hydrophobic surface: 370.682	Hydrophilic surface: 159.13

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.