MMsINC Database Search


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MMsINC code: MMs02234322

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

O(Cc1ccccc1)c1cc2c([nH]cc2C(=O)C(=O)N(C)C)cc1

InChI:

InChI=1/C19H18N2O3/c1-21(2)19(23)18(22)16-11-20-17-9-8-14(10-15(16)17)24-12-13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.588 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -3.86455	SlogP: 3.2842	Reactive groups: 0

Topological Properties
Globularity: 0.0333471	Sterimol/B1: 3.393	Sterimol/B2: 3.52249	Sterimol/B3: 3.75267
Sterimol/B4: 7.33806	Sterimol/L: 17.7635

Surface and Volume Properties
Accessible surface: 590.446	Positive charged surface: 381.796	Negative charged surface: 202.821	Volume: 313.25
Hydrophobic surface: 487.803	Hydrophilic surface: 102.643

Pharmacophoric Properties
Hydrogen bond donors: 1	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.