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MMsINC code: MMs02253990

Type: Neutral
Formula: C₁₉H₂₀O₄

SMILES:

OC(=O)C(C(Cc1ccccc1)c1ccc(cc1)C)CC(O)=O

InChI:

InChI=1/C19H20O4/c1-13-7-9-15(10-8-13)16(11-14-5-3-2-4-6-14)17(19(22)23)12-18(20)21/h2-10,16-17H,11-12H2,1H3,(H,20,21)(H,22,23)/t16-,17+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.948 kcal/mol

Physical Properties
Molecular Weight: 312.365 g/mol	logS: -3.54129	SlogP: 3.49679	Reactive groups: 0

Topological Properties
Globularity: 0.21144	Sterimol/B1: 3.10821	Sterimol/B2: 3.59539	Sterimol/B3: 5.41441
Sterimol/B4: 6.86918	Sterimol/L: 15.1925

Surface and Volume Properties
Accessible surface: 537.913	Positive charged surface: 318.552	Negative charged surface: 219.361	Volume: 303.5
Hydrophobic surface: 398.259	Hydrophilic surface: 139.654

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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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Ions/Tautomers related molecules

MMs02253991
NCID-ZINC01600910