MMsINC Database Search


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MMsINC code: MMs01586556

Type: Neutral
Formula: C₁₉H₂₀N₂O₅

SMILES:

O(C(=O)c1ccc(cc1)CO)C(C(=O)Nc1ccc(NC(=O)C)cc1)C

InChI:

InChI=1/C19H20N2O5/c1-12(26-19(25)15-5-3-14(11-22)4-6-15)18(24)21-17-9-7-16(8-10-17)20-13(2)23/h3-10,12,22H,11H2,1-2H3,(H,20,23)(H,21,24)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.199 kcal/mol

Physical Properties
Molecular Weight: 356.378 g/mol	logS: -4.07072	SlogP: 2.5877	Reactive groups: 0

Topological Properties
Globularity: 0.0226817	Sterimol/B1: 2.14844	Sterimol/B2: 2.41489	Sterimol/B3: 4.06395
Sterimol/B4: 7.58907	Sterimol/L: 20.7813

Surface and Volume Properties
Accessible surface: 649.197	Positive charged surface: 393.075	Negative charged surface: 256.122	Volume: 337.875
Hydrophobic surface: 444.999	Hydrophilic surface: 204.198

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.