MMsINC Database Search


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MMsINC code: MMs02261468

Type: Neutral
Formula: C₂₂H₁₈O

SMILES:

o1c(c2c(cc(C)c(c2)C)c1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C22H18O/c1-15-13-19-20(14-16(15)2)22(18-11-7-4-8-12-18)23-21(19)17-9-5-3-6-10-17/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.233 kcal/mol

Physical Properties
Molecular Weight: 298.385 g/mol	logS: -8.59961	SlogP: 6.38364	Reactive groups: 0

Topological Properties
Globularity: 0.065712	Sterimol/B1: 2.21224	Sterimol/B2: 3.07082	Sterimol/B3: 3.16849
Sterimol/B4: 9.34748	Sterimol/L: 15.1887

Surface and Volume Properties
Accessible surface: 571.294	Positive charged surface: 318.153	Negative charged surface: 243.318	Volume: 314.625
Hydrophobic surface: 567.172	Hydrophilic surface: 4.122

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.