MMsINC Database Search


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MMsINC code: MMs03000092

Type: Neutral
Formula: C₁₆H₁₆O

SMILES:

OC1Cc2ccc(CCc3ccc1cc3)cc2

InChI:

InChI=1/C16H16O/c17-16-11-14-5-3-12(4-6-14)1-2-13-7-9-15(16)10-8-13/h3-10,16-17H,1-2,11H2/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=241.077 kcal/mol

Physical Properties
Molecular Weight: 224.303 g/mol	logS: -3.83107	SlogP: 3.15671	Reactive groups: 0

Topological Properties
Globularity: 0.297902	Sterimol/B1: 2.1729	Sterimol/B2: 3.10418	Sterimol/B3: 4.83659
Sterimol/B4: 5.12066	Sterimol/L: 10.4332

Surface and Volume Properties
Accessible surface: 388.312	Positive charged surface: 256.6	Negative charged surface: 131.711	Volume: 221.125
Hydrophobic surface: 342.385	Hydrophilic surface: 45.927

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.