MMsINC Database Search


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MMsINC code: MMs03524330

Type: Neutral
Formula: C₂₇H₂₀O

SMILES:

Oc1ccccc1-c1c2c(c3c(c1)c1CCc4c1c(ccc4C)c3)cccc2

InChI:

InChI=1/C27H20O/c1-16-10-11-17-14-23-19-6-2-3-7-20(19)24(21-8-4-5-9-26(21)28)15-25(23)22-13-12-18(16)27(17)22/h2-11,14-15,28H,12-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.515 kcal/mol

Physical Properties
Molecular Weight: 360.456 g/mol	logS: -10.4027	SlogP: 6.92576	Reactive groups: 0

Topological Properties
Globularity: 0.0446118	Sterimol/B1: 3.55382	Sterimol/B2: 3.59981	Sterimol/B3: 3.92988
Sterimol/B4: 7.68905	Sterimol/L: 16.7292

Surface and Volume Properties
Accessible surface: 614.646	Positive charged surface: 340.852	Negative charged surface: 241.107	Volume: 365
Hydrophobic surface: 576.294	Hydrophilic surface: 38.352

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.