MMsINC Database Search


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MMsINC code: MMs02137489

Type: Neutral
Formula: C₁₉H₂₀O₂

SMILES:

O=C(c1ccccc1C(=O)C)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C19H20O2/c1-13(20)16-7-5-6-8-17(16)18(21)14-9-11-15(12-10-14)19(2,3)4/h5-12H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.63 kcal/mol

Physical Properties
Molecular Weight: 280.367 g/mol	logS: -5.78954	SlogP: 4.4177	Reactive groups: 0

Topological Properties
Globularity: 0.136643	Sterimol/B1: 2.11761	Sterimol/B2: 3.61408	Sterimol/B3: 4.55073
Sterimol/B4: 7.41226	Sterimol/L: 14.288

Surface and Volume Properties
Accessible surface: 529.09	Positive charged surface: 306.222	Negative charged surface: 222.868	Volume: 292.125
Hydrophobic surface: 427.882	Hydrophilic surface: 101.208

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	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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Ions/Tautomers related molecules: no related molecules available.