MMsINC Database Search


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MMsINC code: MMs01463606

Type: Neutral
Formula: C₂₀H₂₀N₂O₅

SMILES:

O(C(=O)C(NC(=O)c1ccccc1)C)CC(=O)Nc1cc(ccc1)C(=O)C

InChI:

InChI=1/C20H20N2O5/c1-13(21-19(25)15-7-4-3-5-8-15)20(26)27-12-18(24)22-17-10-6-9-16(11-17)14(2)23/h3-11,13H,12H2,1-2H3,(H,21,25)(H,22,24)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.8238 kcal/mol

Physical Properties
Molecular Weight: 368.389 g/mol	logS: -4.57509	SlogP: 2.1894	Reactive groups: 0

Topological Properties
Globularity: 0.0205866	Sterimol/B1: 2.06269	Sterimol/B2: 3.96965	Sterimol/B3: 4.7676
Sterimol/B4: 5.60704	Sterimol/L: 21.2923

Surface and Volume Properties
Accessible surface: 669.684	Positive charged surface: 384.049	Negative charged surface: 285.635	Volume: 346.75
Hydrophobic surface: 491.733	Hydrophilic surface: 177.951

Pharmacophoric Properties
Hydrogen bond donors: 2	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.