MMsINC Database Search


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MMsINC code: MMs01746037

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

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

InChI:

InChI=1/C19H18N2O4/c1-11(2)10-21-18(24)13-8-7-12(9-14(13)19(21)25)17(23)20-15-5-3-4-6-16(15)22/h3-9,11,22H,10H2,1-2H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0456 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -4.27352	SlogP: 2.8965	Reactive groups: 0

Topological Properties
Globularity: 0.0195688	Sterimol/B1: 2.36842	Sterimol/B2: 2.83523	Sterimol/B3: 3.81325
Sterimol/B4: 6.20466	Sterimol/L: 18.9921

Surface and Volume Properties
Accessible surface: 584.339	Positive charged surface: 344.369	Negative charged surface: 239.97	Volume: 316.75
Hydrophobic surface: 396.24	Hydrophilic surface: 188.099

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.