MMsINC Database Search


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MMsINC code: MMs00599221

Type: Neutral
Formula: C₁₉H₂₀O₂

SMILES:

O=C(C(Cc1ccccc1)(Cc1ccccc1)C(=O)C)C

InChI:

InChI=1/C19H20O2/c1-15(20)19(16(2)21,13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.9645 kcal/mol

Physical Properties
Molecular Weight: 280.367 g/mol	logS: -3.55774	SlogP: 3.63614	Reactive groups: 0

Topological Properties
Globularity: 0.126601	Sterimol/B1: 2.24447	Sterimol/B2: 3.23806	Sterimol/B3: 3.57902
Sterimol/B4: 7.44428	Sterimol/L: 14.2067

Surface and Volume Properties
Accessible surface: 489.043	Positive charged surface: 261.828	Negative charged surface: 227.215	Volume: 289.875
Hydrophobic surface: 451.806	Hydrophilic surface: 37.237

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.