MMsINC Database Search


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MMsINC code: MMs03187204

Type: Neutral
Formula: C₃₀H₃₀O

SMILES:

Oc1c(cc(cc1C(C)c1ccccc1)C(C)c1ccccc1)C(C)c1ccccc1

InChI:

InChI=1/C30H30O/c1-21(24-13-7-4-8-14-24)27-19-28(22(2)25-15-9-5-10-16-25)30(31)29(20-27)23(3)26-17-11-6-12-18-26/h4-23,31H,1-3H3/t21-,22-,23+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.41 kcal/mol

Physical Properties
Molecular Weight: 406.569 g/mol	logS: -8.29083	SlogP: 7.8476	Reactive groups: 0

Topological Properties
Globularity: 0.275082	Sterimol/B1: 2.19425	Sterimol/B2: 6.06585	Sterimol/B3: 7.11746
Sterimol/B4: 8.818	Sterimol/L: 14.4497

Surface and Volume Properties
Accessible surface: 715.373	Positive charged surface: 426.622	Negative charged surface: 288.75	Volume: 433.5
Hydrophobic surface: 632.3	Hydrophilic surface: 83.073

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.