MMsINC Database Search


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MMsINC code: MMs01636564

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

o1c(ccc1COc1ccccc1)C(=O)NNC(=O)c1ccccc1

InChI:

InChI=1/C19H16N2O4/c22-18(14-7-3-1-4-8-14)20-21-19(23)17-12-11-16(25-17)13-24-15-9-5-2-6-10-15/h1-12H,13H2,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.9501 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -5.30617	SlogP: 3.1998	Reactive groups: 0

Topological Properties
Globularity: 0.0265078	Sterimol/B1: 3.53284	Sterimol/B2: 3.59776	Sterimol/B3: 3.80073
Sterimol/B4: 6.75885	Sterimol/L: 20.5217

Surface and Volume Properties
Accessible surface: 620.709	Positive charged surface: 327.909	Negative charged surface: 292.8	Volume: 315.75
Hydrophobic surface: 500.41	Hydrophilic surface: 120.299

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.