MMsINC Database Search


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MMsINC code: MMs03147814

Type: Neutral
Formula: C₃₀H₃₀O

SMILES:

O(C(c1ccccc1C)c1ccccc1C)C(c1ccccc1C)c1ccccc1C

InChI:

InChI=1/C30H30O/c1-21-13-5-9-17-25(21)29(26-18-10-6-14-22(26)2)31-30(27-19-11-7-15-23(27)3)28-20-12-8-16-24(28)4/h5-20,29-30H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=190.383 kcal/mol

Physical Properties
Molecular Weight: 406.569 g/mol	logS: -8.70046	SlogP: 8.00688	Reactive groups: 0

Topological Properties
Globularity: 0.445106	Sterimol/B1: 3.47512	Sterimol/B2: 5.4578	Sterimol/B3: 6.90101
Sterimol/B4: 7.57324	Sterimol/L: 13.4995

Surface and Volume Properties
Accessible surface: 669.55	Positive charged surface: 382.432	Negative charged surface: 287.118	Volume: 431.5
Hydrophobic surface: 669.55	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.