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MMsINC code: MMs02875157

Type: Ionized
Formula: C₁₉H₁₉O₃-

SMILES:

O=C(Cc1ccc(cc1)-c1ccc(cc1)CCCC)C(=O)[O-]

InChI:

InChI=1/C19H20O3/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(8-12-17)13-18(20)19(21)22/h5-12H,2-4,13H2,1H3,(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1753 kcal/mol

Physical Properties
Molecular Weight: 295.358 g/mol	logS: -6.45351	SlogP: 2.55764	Reactive groups: 0

Topological Properties
Globularity: 0.0486722	Sterimol/B1: 2.58924	Sterimol/B2: 3.15759	Sterimol/B3: 4.83395
Sterimol/B4: 4.95241	Sterimol/L: 20.073

Surface and Volume Properties
Accessible surface: 585.351	Positive charged surface: 337.853	Negative charged surface: 243.282	Volume: 303.375
Hydrophobic surface: 431.66	Hydrophilic surface: 153.691

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

search links for this molecule:

Parent related molecule:

MMs02875156
PUBCHEM-ZINC02135968