MMsINC Database Search


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MMsINC code: MMs00430081

Type: Neutral
Formula: C₁₉H₂₀N₂O₄

SMILES:

O1CC(=O)N(c2c1cc(NC(=O)COC)cc2)Cc1ccc(cc1)C

InChI:

InChI=1/C19H20N2O4/c1-13-3-5-14(6-4-13)10-21-16-8-7-15(20-18(22)11-24-2)9-17(16)25-12-19(21)23/h3-9H,10-12H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.584 kcal/mol

Physical Properties
Molecular Weight: 340.379 g/mol	logS: -4.26675	SlogP: 2.77192	Reactive groups: 0

Topological Properties
Globularity: 0.06574	Sterimol/B1: 2.33106	Sterimol/B2: 2.36229	Sterimol/B3: 5.17721
Sterimol/B4: 8.06221	Sterimol/L: 18.447

Surface and Volume Properties
Accessible surface: 608.594	Positive charged surface: 419.986	Negative charged surface: 188.608	Volume: 324
Hydrophobic surface: 498.765	Hydrophilic surface: 109.829

Pharmacophoric Properties
Hydrogen bond donors: 1	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.