MMsINC Database Search


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MMsINC code: MMs00866898

Type: Neutral
Formula: C₂₀H₁₆O

SMILES:

O=C(C)c1ccc(cc1)-c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C20H16O/c1-15(21)16-7-9-19(10-8-16)20-13-11-18(12-14-20)17-5-3-2-4-6-17/h2-14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.049 kcal/mol

Physical Properties
Molecular Weight: 272.347 g/mol	logS: -6.54991	SlogP: 5.2232	Reactive groups: 0

Topological Properties
Globularity: 0.00206557	Sterimol/B1: 2.10465	Sterimol/B2: 2.51242	Sterimol/B3: 2.99264
Sterimol/B4: 4.81196	Sterimol/L: 18.5345

Surface and Volume Properties
Accessible surface: 520.843	Positive charged surface: 235.36	Negative charged surface: 264.242	Volume: 285.875
Hydrophobic surface: 479.779	Hydrophilic surface: 41.064

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.