MMsINC Database Search


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MMsINC code: MMs02605555

Type: Neutral
Formula: C₂₄H₂₈N₂O₆

SMILES:

O(C(=O)CCC(=O)N(CCN(C(=O)CCC(OC)=O)c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C24H28N2O6/c1-31-23(29)15-13-21(27)25(19-9-5-3-6-10-19)17-18-26(20-11-7-4-8-12-20)22(28)14-16-24(30)32-2/h3-12H,13-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.4897 kcal/mol

Physical Properties
Molecular Weight: 440.496 g/mol	logS: -3.71544	SlogP: 2.9592	Reactive groups: 1

Topological Properties
Globularity: 0.0469172	Sterimol/B1: 3.28677	Sterimol/B2: 4.10649	Sterimol/B3: 5.45957
Sterimol/B4: 8.55608	Sterimol/L: 21.7502

Surface and Volume Properties
Accessible surface: 776.137	Positive charged surface: 538.014	Negative charged surface: 238.123	Volume: 424.25
Hydrophobic surface: 647.131	Hydrophilic surface: 129.006

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.