MMsINC Database Search


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MMsINC code: MMs02870062

Type: Neutral
Formula: C₂₈H₂₂O

SMILES:

OC(Cc1ccccc1)(c1c2c(c3c(c1)cccc3)cccc2)c1ccccc1

InChI:

InChI=1/C28H22O/c29-28(23-14-5-2-6-15-23,20-21-11-3-1-4-12-21)27-19-22-13-7-8-16-24(22)25-17-9-10-18-26(25)27/h1-19,29H,20H2/t28-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.205 kcal/mol

Physical Properties
Molecular Weight: 374.483 g/mol	logS: -8.50893	SlogP: 6.78307	Reactive groups: 0

Topological Properties
Globularity: 0.17424	Sterimol/B1: 3.51846	Sterimol/B2: 3.81786	Sterimol/B3: 5.85714
Sterimol/B4: 6.89206	Sterimol/L: 16.1819

Surface and Volume Properties
Accessible surface: 618.173	Positive charged surface: 338.086	Negative charged surface: 261.98	Volume: 384
Hydrophobic surface: 596.934	Hydrophilic surface: 21.239

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.