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MMsINC code: MMs00838567

Type: Ionized
Formula: C₁₇H₁₃N₂O₄-

SMILES:

O=C1N(CCc2ccccc2)C(=O)Nc2c1ccc(c2)C(=O)[O-]

InChI:

InChI=1/C17H14N2O4/c20-15-13-7-6-12(16(21)22)10-14(13)18-17(23)19(15)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,23)(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.7642 kcal/mol

Physical Properties
Molecular Weight: 309.301 g/mol	logS: -3.89113	SlogP: 1.28047	Reactive groups: 0

Topological Properties
Globularity: 0.0154298	Sterimol/B1: 2.73098	Sterimol/B2: 2.77485	Sterimol/B3: 3.87529
Sterimol/B4: 4.74141	Sterimol/L: 17.9805

Surface and Volume Properties
Accessible surface: 528.082	Positive charged surface: 264.651	Negative charged surface: 263.431	Volume: 279.5
Hydrophobic surface: 347.703	Hydrophilic surface: 180.379

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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:

MMs00838566
CHEMDIV-ZINC00201450