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MMsINC code: MMs03070447

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(CCCC)c1cc2c([nH]c(-c3c4c(ccc3)cccc4)c2CC(O)=O)cc1

InChI:

InChI=1/C24H23NO3/c1-2-3-13-28-17-11-12-22-20(14-17)21(15-23(26)27)24(25-22)19-10-6-8-16-7-4-5-9-18(16)19/h4-12,14,25H,2-3,13,15H2,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.6379 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -7.07329	SlogP: 5.79407	Reactive groups: 0

Topological Properties
Globularity: 0.0837622	Sterimol/B1: 4.17619	Sterimol/B2: 4.51978	Sterimol/B3: 5.36993
Sterimol/B4: 5.37073	Sterimol/L: 20.0701

Surface and Volume Properties
Accessible surface: 662.027	Positive charged surface: 414.37	Negative charged surface: 237.776	Volume: 372.75
Hydrophobic surface: 526.523	Hydrophilic surface: 135.504

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03070448
PUBCHEM-ZINC03752801