MMsINC Database Search


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MMsINC code: MMs01375121

Type: Neutral
Formula: C₁₉H₂₀N₂O₄

SMILES:

O(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)c1ccc(cc1)C

InChI:

InChI=1/C19H20N2O4/c1-14-7-9-16(10-8-14)19(24)21-11-17(22)20-12-18(23)25-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,22)(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.9069 kcal/mol

Physical Properties
Molecular Weight: 340.379 g/mol	logS: -4.35357	SlogP: 1.85082	Reactive groups: 1

Topological Properties
Globularity: 0.0176043	Sterimol/B1: 2.44324	Sterimol/B2: 3.61623	Sterimol/B3: 3.61878
Sterimol/B4: 5.96299	Sterimol/L: 22.6396

Surface and Volume Properties
Accessible surface: 653.953	Positive charged surface: 389.815	Negative charged surface: 264.138	Volume: 330.625
Hydrophobic surface: 504.804	Hydrophilic surface: 149.149

Pharmacophoric Properties
Hydrogen bond donors: 2	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.