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MMsINC code: MMs00360341

Type: Neutral
Formula: C₂₄H₃₀N₂O₄

SMILES:

O(C)c1ccc(NC(=O)CCN2CCC(CC2)(C(OCC)=O)c2ccccc2)cc1

InChI:

InChI=1/C24H30N2O4/c1-3-30-23(28)24(19-7-5-4-6-8-19)14-17-26(18-15-24)16-13-22(27)25-20-9-11-21(29-2)12-10-20/h4-12H,3,13-18H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.91 kcal/mol

Physical Properties
Molecular Weight: 410.514 g/mol	logS: -4.28341	SlogP: 3.6207	Reactive groups: 0

Topological Properties
Globularity: 0.0445739	Sterimol/B1: 2.49555	Sterimol/B2: 3.09625	Sterimol/B3: 4.65686
Sterimol/B4: 9.19134	Sterimol/L: 22.4645

Surface and Volume Properties
Accessible surface: 726.994	Positive charged surface: 512.505	Negative charged surface: 214.489	Volume: 408.25
Hydrophobic surface: 632.153	Hydrophilic surface: 94.841

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs00360342
ASINEX-ZINC04694365