MMsINC Database Search


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MMsINC code: MMs03804880

Type: Neutral
Formula: C₂₄H₂₀O

SMILES:

OC(Cc1ccccc1)(c1c2c(ccc1)cccc2)c1ccccc1

InChI:

InChI=1/C24H20O/c25-24(21-14-5-2-6-15-21,18-19-10-3-1-4-11-19)23-17-9-13-20-12-7-8-16-22(20)23/h1-17,25H,18H2/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.845 kcal/mol

Physical Properties
Molecular Weight: 324.423 g/mol	logS: -6.63105	SlogP: 5.62987	Reactive groups: 0

Topological Properties
Globularity: 0.205166	Sterimol/B1: 3.24283	Sterimol/B2: 4.19796	Sterimol/B3: 5.21825
Sterimol/B4: 6.36296	Sterimol/L: 14.8671

Surface and Volume Properties
Accessible surface: 548.2	Positive charged surface: 319.356	Negative charged surface: 221.303	Volume: 337.25
Hydrophobic surface: 526.617	Hydrophilic surface: 21.583

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: 1

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Ions/Tautomers related molecules: no related molecules available.