MMsINC Database Search


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MMsINC code: MMs00561479

Type: Neutral
Formula: C₂₀H₂₄N₂O₄

SMILES:

O(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCOC

InChI:

InChI=1/C20H24N2O4/c1-25-13-12-21-19(23)18(14-16-8-4-2-5-9-16)22-20(24)26-15-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,21,23)(H,22,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.5914 kcal/mol

Physical Properties
Molecular Weight: 356.422 g/mol	logS: -3.75241	SlogP: 2.55307	Reactive groups: 0

Topological Properties
Globularity: 0.0454753	Sterimol/B1: 3.11525	Sterimol/B2: 3.79082	Sterimol/B3: 4.60358
Sterimol/B4: 6.50548	Sterimol/L: 19.4176

Surface and Volume Properties
Accessible surface: 653.602	Positive charged surface: 447.845	Negative charged surface: 205.757	Volume: 353
Hydrophobic surface: 562.236	Hydrophilic surface: 91.366

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.