MMsINC Database Search


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MMsINC code: MMs03523222

Type: Neutral
Formula: C₁₈H₁₆O

SMILES:

OC1CCc2c1cc(c1c2ccc2c1cccc2)C

InChI:

InChI=1/C18H16O/c1-11-10-16-14(8-9-17(16)19)15-7-6-12-4-2-3-5-13(12)18(11)15/h2-7,10,17,19H,8-9H2,1H3/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.1563 kcal/mol

Physical Properties
Molecular Weight: 248.325 g/mol	logS: -5.77122	SlogP: 4.37649	Reactive groups: 0

Topological Properties
Globularity: 0.044242	Sterimol/B1: 2.09202	Sterimol/B2: 2.18703	Sterimol/B3: 3.73021
Sterimol/B4: 7.6001	Sterimol/L: 13.7797

Surface and Volume Properties
Accessible surface: 462.272	Positive charged surface: 278.764	Negative charged surface: 165.175	Volume: 254.25
Hydrophobic surface: 415.304	Hydrophilic surface: 46.968

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.