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MMsINC code: MMs00925616

Type: Ionized
Formula: C₁₉H₁₇N₂O₄-

SMILES:

O(CCC)c1ccc(cc1)CC1=Nc2cc(ccc2NC1=O)C(=O)[O-]

InChI:

InChI=1/C19H18N2O4/c1-2-9-25-14-6-3-12(4-7-14)10-17-18(22)21-15-8-5-13(19(23)24)11-16(15)20-17/h3-8,11H,2,9-10H2,1H3,(H,21,22)(H,23,24)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4739 kcal/mol

Physical Properties
Molecular Weight: 337.355 g/mol	logS: -4.83003	SlogP: 2.10617	Reactive groups: 0

Topological Properties
Globularity: 0.04283	Sterimol/B1: 2.91569	Sterimol/B2: 4.42044	Sterimol/B3: 4.88702
Sterimol/B4: 7.11154	Sterimol/L: 17.2751

Surface and Volume Properties
Accessible surface: 607.223	Positive charged surface: 362.954	Negative charged surface: 244.268	Volume: 319.375
Hydrophobic surface: 416.15	Hydrophilic surface: 191.073

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Parent related molecule:

MMs00925615
CHEMDIV-ZINC04094430