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MMsINC code: MMs00492315

Type: Ionized
Formula: C₁₉H₁₇N₂O₄-

SMILES:

O=C1N(C(=O)CC1N(Cc1ccccc1)C)c1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C19H18N2O4/c1-20(12-13-5-3-2-4-6-13)16-11-17(22)21(18(16)23)15-9-7-14(8-10-15)19(24)25/h2-10,16H,11-12H2,1H3,(H,24,25)/p-1/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.475 kcal/mol

Physical Properties
Molecular Weight: 337.355 g/mol	logS: -3.79469	SlogP: 1.0804	Reactive groups: 0

Topological Properties
Globularity: 0.0478993	Sterimol/B1: 2.11012	Sterimol/B2: 4.77162	Sterimol/B3: 4.78283
Sterimol/B4: 5.11249	Sterimol/L: 18.2198

Surface and Volume Properties
Accessible surface: 575.083	Positive charged surface: 306.851	Negative charged surface: 268.231	Volume: 317.5
Hydrophobic surface: 425.029	Hydrophilic surface: 150.054

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 2	Basic groups: 0
Chiral centers: 1

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:

MMs00492314
CHEMBLOCK-ZINC00061942