MMsINC Database Search


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MMsINC code: MMs02961227

Type: Neutral
Formula: C₂₄H₂₆N₂O₄

SMILES:

O(C)c1ccccc1NC(=O)CCn1c(cc(C(OCC)=O)c1C)-c1ccccc1

InChI:

InChI=1/C24H26N2O4/c1-4-30-24(28)19-16-21(18-10-6-5-7-11-18)26(17(19)2)15-14-23(27)25-20-12-8-9-13-22(20)29-3/h5-13,16H,4,14-15H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.292 kcal/mol

Physical Properties
Molecular Weight: 406.482 g/mol	logS: -5.06835	SlogP: 4.94402	Reactive groups: 0

Topological Properties
Globularity: 0.0482399	Sterimol/B1: 3.00159	Sterimol/B2: 3.6159	Sterimol/B3: 4.83918
Sterimol/B4: 9.2114	Sterimol/L: 20.1553

Surface and Volume Properties
Accessible surface: 724.76	Positive charged surface: 473.219	Negative charged surface: 251.54	Volume: 403.125
Hydrophobic surface: 616.474	Hydrophilic surface: 108.286

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.