MMsINC Database Search


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MMsINC code: MMs00324597

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O(C)c1cc(ccc1)C1N(Cc2cccnc2)C(=O)C(=O)C1C(=O)c1ccccc1

InChI:

InChI=1/C24H20N2O4/c1-30-19-11-5-10-18(13-19)21-20(22(27)17-8-3-2-4-9-17)23(28)24(29)26(21)15-16-7-6-12-25-14-16/h2-14,20-21H,15H2,1H3/t20-,21+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.971 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -4.32108	SlogP: 3.6038	Reactive groups: 0

Topological Properties
Globularity: 0.124576	Sterimol/B1: 2.40733	Sterimol/B2: 3.47131	Sterimol/B3: 4.71102
Sterimol/B4: 10.7363	Sterimol/L: 16.0413

Surface and Volume Properties
Accessible surface: 618.95	Positive charged surface: 380.438	Negative charged surface: 238.512	Volume: 376.125
Hydrophobic surface: 495.84	Hydrophilic surface: 123.11

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.