MMsINC Database Search


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MMsINC code: MMs01913098

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

Oc1ccc(cc1)\C=C/1\C(=O)N(c2ccc(cc2)CC)C(=O)NC\1=O

InChI:

InChI=1/C19H16N2O4/c1-2-12-3-7-14(8-4-12)21-18(24)16(17(23)20-19(21)25)11-13-5-9-15(22)10-6-13/h3-11,22H,2H2,1H3,(H,20,23,25)/b16-11-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.8408 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -5.15616	SlogP: 2.62097	Reactive groups: 0

Topological Properties
Globularity: 0.0752899	Sterimol/B1: 3.04738	Sterimol/B2: 3.96376	Sterimol/B3: 4.824
Sterimol/B4: 7.04323	Sterimol/L: 15.3011

Surface and Volume Properties
Accessible surface: 575.871	Positive charged surface: 341.006	Negative charged surface: 234.865	Volume: 309.75
Hydrophobic surface: 379.698	Hydrophilic surface: 196.173

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.