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MMsINC code: MMs02844877

Type: Neutral
Formula: C₂₄H₁₉NO₄

SMILES:

OC(=O)c1n(c2c(cccc2)c1Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)C

InChI:

InChI=1/C24H19NO4/c1-25-21-5-3-2-4-19(21)20(22(25)24(28)29)14-15-6-8-16(9-7-15)17-10-12-18(13-11-17)23(26)27/h2-13H,14H2,1H3,(H,26,27)(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.7197 kcal/mol

Physical Properties
Molecular Weight: 385.419 g/mol	logS: -5.88982	SlogP: 5.19167	Reactive groups: 0

Topological Properties
Globularity: 0.0870585	Sterimol/B1: 2.42206	Sterimol/B2: 4.17577	Sterimol/B3: 6.006
Sterimol/B4: 7.47083	Sterimol/L: 17.734

Surface and Volume Properties
Accessible surface: 634.6	Positive charged surface: 355.437	Negative charged surface: 263.621	Volume: 365.375
Hydrophobic surface: 462.549	Hydrophilic surface: 172.051

Pharmacophoric Properties
Hydrogen bond donors: 4	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02844878
PUBCHEM-ZINC02003398