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MMsINC code: MMs02846157

Type: Ionized
Formula: C₁₉H₁₄NO₅-

SMILES:

O1c2c(OC1)cc1n(C(=O)c3ccccc3)c(C)c(c1c2)CC(=O)[O-]

InChI:

InChI=1/C19H15NO5/c1-11-13(8-18(21)22)14-7-16-17(25-10-24-16)9-15(14)20(11)19(23)12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3,(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.5789 kcal/mol

Physical Properties
Molecular Weight: 336.323 g/mol	logS: -4.28381	SlogP: 1.65929	Reactive groups: 0

Topological Properties
Globularity: 0.0942524	Sterimol/B1: 1.99949	Sterimol/B2: 3.42899	Sterimol/B3: 3.84057
Sterimol/B4: 10.0697	Sterimol/L: 14.3496

Surface and Volume Properties
Accessible surface: 540.869	Positive charged surface: 295.567	Negative charged surface: 240.465	Volume: 302.75
Hydrophobic surface: 380.316	Hydrophilic surface: 160.553

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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:

MMs02846156
PUBCHEM-ZINC02005846