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MMsINC code: MMs01957607

Type: Neutral
Formula: C₂₄H₃₀N₂O₅

SMILES:

O1c2c(cc3c(occ3C)c2C)C(C)=C(CCC(=O)NCCCN2CCOCC2)C1=O

InChI:

InChI=1/C24H30N2O5/c1-15-14-30-22-17(3)23-20(13-19(15)22)16(2)18(24(28)31-23)5-6-21(27)25-7-4-8-26-9-11-29-12-10-26/h13-14H,4-12H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.7631 kcal/mol

Physical Properties
Molecular Weight: 426.513 g/mol	logS: -5.20481	SlogP: 3.36084	Reactive groups: 0

Topological Properties
Globularity: 0.0436071	Sterimol/B1: 1.969	Sterimol/B2: 3.3501	Sterimol/B3: 5.33926
Sterimol/B4: 8.15422	Sterimol/L: 23.1212

Surface and Volume Properties
Accessible surface: 753.969	Positive charged surface: 536.038	Negative charged surface: 212.125	Volume: 416
Hydrophobic surface: 635.467	Hydrophilic surface: 118.502

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

MMs01957608
IBS-ZINC06623733