MMsINC Database Search


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MMsINC code: MMs03542100

Type: Neutral
Formula: C₂₄H₁₈O

SMILES:

OC1c2c3c(cccc3ccc2)C1(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H18O/c25-23-20-15-7-9-17-10-8-16-21(22(17)20)24(23,18-11-3-1-4-12-18)19-13-5-2-6-14-19/h1-16,23,25H/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.828 kcal/mol

Physical Properties
Molecular Weight: 322.407 g/mol	logS: -6.50257	SlogP: 5.3167	Reactive groups: 0

Topological Properties
Globularity: 0.380414	Sterimol/B1: 2.49752	Sterimol/B2: 4.90985	Sterimol/B3: 5.06309
Sterimol/B4: 9.3201	Sterimol/L: 12.4767

Surface and Volume Properties
Accessible surface: 539.741	Positive charged surface: 306.706	Negative charged surface: 225.91	Volume: 324.375
Hydrophobic surface: 510.214	Hydrophilic surface: 29.527

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.