MMsINC Database Search


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MMsINC code: MMs02153604

Type: Neutral
Formula: C₁₉H₂₀N₂O₅

SMILES:

O(C(=O)c1cc(C)c(NC(=O)NCc2ccc(cc2)C(OC)=O)cc1)C

InChI:

InChI=1/C19H20N2O5/c1-12-10-15(18(23)26-3)8-9-16(12)21-19(24)20-11-13-4-6-14(7-5-13)17(22)25-2/h4-10H,11H2,1-3H3,(H2,20,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1454 kcal/mol

Physical Properties
Molecular Weight: 356.378 g/mol	logS: -4.12002	SlogP: 3.15632	Reactive groups: 0

Topological Properties
Globularity: 0.0214411	Sterimol/B1: 2.19808	Sterimol/B2: 3.26036	Sterimol/B3: 3.91315
Sterimol/B4: 6.76418	Sterimol/L: 22.202

Surface and Volume Properties
Accessible surface: 653.891	Positive charged surface: 450.793	Negative charged surface: 203.098	Volume: 336.625
Hydrophobic surface: 515.372	Hydrophilic surface: 138.519

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.