MMsINC Database Search


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MMsINC code: MMs02197687

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O(C)c1ccccc1C(=O)N(CCN1C(=O)c2c(cccc2)C1=O)c1ccccc1

InChI:

InChI=1/C24H20N2O4/c1-30-21-14-8-7-13-20(21)24(29)25(17-9-3-2-4-10-17)15-16-26-22(27)18-11-5-6-12-19(18)23(26)28/h2-14H,15-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=180.256 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -5.64345	SlogP: 3.6382	Reactive groups: 0

Topological Properties
Globularity: 0.0458134	Sterimol/B1: 2.37789	Sterimol/B2: 3.90393	Sterimol/B3: 4.25154
Sterimol/B4: 10.2991	Sterimol/L: 16.7597

Surface and Volume Properties
Accessible surface: 640.428	Positive charged surface: 382.515	Negative charged surface: 257.913	Volume: 375.25
Hydrophobic surface: 563.535	Hydrophilic surface: 76.893

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.