MMsINC Database Search


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MMsINC code: MMs00153221

Type: Neutral
Formula: C₂₃H₂₆N₂O₅

SMILES:

O(CC)c1cc(ccc1OCC)CCNC(=O)CCN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C23H26N2O5/c1-3-29-19-10-9-16(15-20(19)30-4-2)11-13-24-21(26)12-14-25-22(27)17-7-5-6-8-18(17)23(25)28/h5-10,15H,3-4,11-14H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7299 kcal/mol

Physical Properties
Molecular Weight: 410.47 g/mol	logS: -4.57377	SlogP: 2.82897	Reactive groups: 0

Topological Properties
Globularity: 0.0199405	Sterimol/B1: 2.48649	Sterimol/B2: 2.62833	Sterimol/B3: 4.23224
Sterimol/B4: 8.50922	Sterimol/L: 23.3158

Surface and Volume Properties
Accessible surface: 749.75	Positive charged surface: 495.242	Negative charged surface: 254.508	Volume: 397.75
Hydrophobic surface: 569.092	Hydrophilic surface: 180.658

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.