MMsINC Database Search


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MMsINC code: MMs00986508

Type: Neutral
Formula: C₂₂H₂₄N₂O₄

SMILES:

O(CC)c1ccccc1N(C(=O)COC1=CC(=O)N(c2c1cccc2)CC)C

InChI:

InChI=1/C22H24N2O4/c1-4-24-17-11-7-6-10-16(17)20(14-21(24)25)28-15-22(26)23(3)18-12-8-9-13-19(18)27-5-2/h6-14H,4-5,15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.536 kcal/mol

Physical Properties
Molecular Weight: 380.444 g/mol	logS: -4.79085	SlogP: 3.4723	Reactive groups: 0

Topological Properties
Globularity: 0.122041	Sterimol/B1: 3.14934	Sterimol/B2: 4.35964	Sterimol/B3: 4.69203
Sterimol/B4: 6.65791	Sterimol/L: 17.867

Surface and Volume Properties
Accessible surface: 671.807	Positive charged surface: 437.07	Negative charged surface: 234.737	Volume: 371.125
Hydrophobic surface: 561.052	Hydrophilic surface: 110.755

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.