MMsINC Database Search


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MMsINC code: MMs01600776

Type: Neutral
Formula: C₂₃H₂₅N₃O₄

SMILES:

O(C)c1ccccc1CN(C(=O)COC(=O)c1c(n(nc1C)-c1ccccc1)C)C

InChI:

InChI=1/C23H25N3O4/c1-16-22(17(2)26(24-16)19-11-6-5-7-12-19)23(28)30-15-21(27)25(3)14-18-10-8-9-13-20(18)29-4/h5-13H,14-15H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.843 kcal/mol

Physical Properties
Molecular Weight: 407.47 g/mol	logS: -4.43216	SlogP: 3.57954	Reactive groups: 0

Topological Properties
Globularity: 0.0629538	Sterimol/B1: 2.21398	Sterimol/B2: 3.26316	Sterimol/B3: 6.6857
Sterimol/B4: 6.69625	Sterimol/L: 20.7671

Surface and Volume Properties
Accessible surface: 722.254	Positive charged surface: 458.062	Negative charged surface: 264.191	Volume: 399.875
Hydrophobic surface: 634.326	Hydrophilic surface: 87.928

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.