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MMsINC code: MMs02982993

Type: Ionized
Formula: C₂₄H₁₈NO₄-

SMILES:

O\1c2c(N(Cc3cc(ccc3)C)C(=O)/C/1=C/c1ccc(cc1)C(=O)[O-])cccc2

InChI:

InChI=1/C24H19NO4/c1-16-5-4-6-18(13-16)15-25-20-7-2-3-8-21(20)29-22(23(25)26)14-17-9-11-19(12-10-17)24(27)28/h2-14H,15H2,1H3,(H,27,28)/p-1/b22-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.0958 kcal/mol

Physical Properties
Molecular Weight: 384.411 g/mol	logS: -6.81135	SlogP: 3.59162	Reactive groups: 0

Topological Properties
Globularity: 0.0873235	Sterimol/B1: 2.41847	Sterimol/B2: 3.57438	Sterimol/B3: 4.11019
Sterimol/B4: 9.32971	Sterimol/L: 17.3266

Surface and Volume Properties
Accessible surface: 650.785	Positive charged surface: 354.469	Negative charged surface: 296.317	Volume: 368.875
Hydrophobic surface: 540.825	Hydrophilic surface: 109.96

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 2	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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Parent related molecule:

MMs02982992
PUBCHEM-ZINC03030525