MMsINC Database Search


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MMsINC code: MMs02023512

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

O(C(=O)c1ccc(NC(=O)C(=O)c2c3c([nH]c2C)cccc3)cc1)C

InChI:

InChI=1/C19H16N2O4/c1-11-16(14-5-3-4-6-15(14)20-11)17(22)18(23)21-13-9-7-12(8-10-13)19(24)25-2/h3-10,20H,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.677 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -4.67124	SlogP: 3.08432	Reactive groups: 0

Topological Properties
Globularity: 0.0580844	Sterimol/B1: 2.10009	Sterimol/B2: 2.4121	Sterimol/B3: 4.91527
Sterimol/B4: 8.07356	Sterimol/L: 18.4441

Surface and Volume Properties
Accessible surface: 595.833	Positive charged surface: 350.8	Negative charged surface: 241.252	Volume: 313.125
Hydrophobic surface: 464.198	Hydrophilic surface: 131.635

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.