MMsINC Database Search


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MMsINC code: MMs00173694

Type: Neutral
Formula: C₂₀H₂₄N₂O₅

SMILES:

O(C(=O)C1CCN(CC1)C(=O)Cn1cc(c2c1cccc2)C(OC)=O)CC

InChI:

InChI=1/C20H24N2O5/c1-3-27-19(24)14-8-10-21(11-9-14)18(23)13-22-12-16(20(25)26-2)15-6-4-5-7-17(15)22/h4-7,12,14H,3,8-11,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.4718 kcal/mol

Physical Properties
Molecular Weight: 372.421 g/mol	logS: -3.06134	SlogP: 2.496	Reactive groups: 0

Topological Properties
Globularity: 0.0531413	Sterimol/B1: 2.3809	Sterimol/B2: 5.48074	Sterimol/B3: 5.68441
Sterimol/B4: 6.96083	Sterimol/L: 18.5415

Surface and Volume Properties
Accessible surface: 669.437	Positive charged surface: 468.411	Negative charged surface: 195.439	Volume: 357.125
Hydrophobic surface: 539.794	Hydrophilic surface: 129.643

Pharmacophoric Properties
Hydrogen bond donors: 0	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.