MMsINC Database Search


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MMsINC code: MMs01002744

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O(C)c1ccc(cc1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccc1

InChI:

InChI=1/C24H20N2O4/c1-30-19-11-9-18(10-12-19)22(27)20-21(17-7-3-2-4-8-17)26(24(29)23(20)28)15-16-6-5-13-25-14-16/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)=96.4455 kcal/mol

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

Topological Properties
Globularity: 0.132828	Sterimol/B1: 4.61499	Sterimol/B2: 4.6689	Sterimol/B3: 5.34365
Sterimol/B4: 7.38984	Sterimol/L: 17.1791

Surface and Volume Properties
Accessible surface: 654.245	Positive charged surface: 398.351	Negative charged surface: 255.894	Volume: 378.75
Hydrophobic surface: 535.021	Hydrophilic surface: 119.224

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

MMs01002745 CHEMDIV-ZINC06728036	MMs01002747 CHEMDIV-ZINC06728036	MMs01002746 CHEMDIV-ZINC06728036
MMs01002748 CHEMDIV-ZINC06728036