MMsINC Database Search


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MMsINC code: MMs00983950

Type: Neutral
Formula: C₂₄H₂₆N₂O₄

SMILES:

O(C)c1ccc(NC(=O)Cn2c(cc(C(OCC)=O)c2C)-c2ccc(cc2)C)cc1

InChI:

InChI=1/C24H26N2O4/c1-5-30-24(28)21-14-22(18-8-6-16(2)7-9-18)26(17(21)3)15-23(27)25-19-10-12-20(29-4)13-11-19/h6-14H,5,15H2,1-4H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.228 kcal/mol

Physical Properties
Molecular Weight: 406.482 g/mol	logS: -5.66035	SlogP: 4.86234	Reactive groups: 0

Topological Properties
Globularity: 0.0859826	Sterimol/B1: 2.44374	Sterimol/B2: 2.94203	Sterimol/B3: 6.10199
Sterimol/B4: 10.4179	Sterimol/L: 19.5928

Surface and Volume Properties
Accessible surface: 723.741	Positive charged surface: 477.627	Negative charged surface: 246.114	Volume: 401.25
Hydrophobic surface: 622.053	Hydrophilic surface: 101.688

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.