MMsINC Database Search


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MMsINC code: MMs00465750

Type: Neutral
Formula: C₁₈H₁₆O

SMILES:

OC(Cc1ccccc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C18H16O/c19-18(12-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18-19H,12H2/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8907 kcal/mol

Physical Properties
Molecular Weight: 248.325 g/mol	logS: -4.86315	SlogP: 4.21137	Reactive groups: 0

Topological Properties
Globularity: 0.0225528	Sterimol/B1: 2.81965	Sterimol/B2: 3.2091	Sterimol/B3: 3.60895
Sterimol/B4: 4.8337	Sterimol/L: 16.34

Surface and Volume Properties
Accessible surface: 491.666	Positive charged surface: 258.522	Negative charged surface: 222.33	Volume: 261.125
Hydrophobic surface: 460.132	Hydrophilic surface: 31.534

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.