MMsINC Database Search


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MMsINC code: MMs02996701

Type: Neutral
Formula: C₁₉H₁₆O

SMILES:

OC(c1ccccc1-c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H16O/c20-19(16-11-5-2-6-12-16)18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14,19-20H/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.7746 kcal/mol

Physical Properties
Molecular Weight: 260.336 g/mol	logS: -5.35018	SlogP: 4.5308	Reactive groups: 0

Topological Properties
Globularity: 0.144523	Sterimol/B1: 2.29734	Sterimol/B2: 3.55063	Sterimol/B3: 3.84839
Sterimol/B4: 7.82664	Sterimol/L: 13.8117

Surface and Volume Properties
Accessible surface: 495.799	Positive charged surface: 272.318	Negative charged surface: 220.339	Volume: 272.875
Hydrophobic surface: 469.909	Hydrophilic surface: 25.89

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.