MMsINC Database Search


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MMsINC code: MMs00751931

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

O=C1N(C(=O)c2c1c(NC(=O)CCCC)ccc2)c1ccccc1

InChI:

InChI=1/C19H18N2O3/c1-2-3-12-16(22)20-15-11-7-10-14-17(15)19(24)21(18(14)23)13-8-5-4-6-9-13/h4-11H,2-3,12H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7829 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -5.20025	SlogP: 3.6159	Reactive groups: 0

Topological Properties
Globularity: 0.0162936	Sterimol/B1: 2.55375	Sterimol/B2: 3.60212	Sterimol/B3: 4.16425
Sterimol/B4: 7.54483	Sterimol/L: 18.2353

Surface and Volume Properties
Accessible surface: 585.614	Positive charged surface: 357.83	Negative charged surface: 227.785	Volume: 309.375
Hydrophobic surface: 462.342	Hydrophilic surface: 123.272

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.