MMsINC Database Search


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MMsINC code: MMs00893149

Type: Neutral
Formula: C₂₄H₂₆N₂O₄

SMILES:

O(C)c1ccc(N(C(=O)Cn2c(cc(C(OCC)=O)c2C)-c2ccccc2)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.769 kcal/mol

Physical Properties
Molecular Weight: 406.482 g/mol	logS: -5.08044	SlogP: 4.57822	Reactive groups: 0

Topological Properties
Globularity: 0.112835	Sterimol/B1: 2.59499	Sterimol/B2: 3.32145	Sterimol/B3: 6.29966
Sterimol/B4: 9.33959	Sterimol/L: 19.388

Surface and Volume Properties
Accessible surface: 708.239	Positive charged surface: 468.168	Negative charged surface: 240.07	Volume: 405.125
Hydrophobic surface: 619.633	Hydrophilic surface: 88.606

Pharmacophoric Properties
Hydrogen bond donors: 0	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.