MMsINC Database Search


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MMsINC code: MMs03000091

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=241.123 kcal/mol

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

Topological Properties
Globularity: 0.297263	Sterimol/B1: 2.52353	Sterimol/B2: 2.95105	Sterimol/B3: 4.37443
Sterimol/B4: 5.46652	Sterimol/L: 10.4335

Surface and Volume Properties
Accessible surface: 387.989	Positive charged surface: 256.169	Negative charged surface: 131.82	Volume: 221.5
Hydrophobic surface: 343.482	Hydrophilic surface: 44.507

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.