MMsINC Database Search


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MMsINC code: MMs01728121

Type: Neutral
Formula: C₃₄H₃₀O₂

SMILES:

O(C(c1ccc(cc1)C(OC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C34H30O2/c1-35-33(27-15-7-3-8-16-27,28-17-9-4-10-18-28)31-23-25-32(26-24-31)34(36-2,29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-26H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=228.389 kcal/mol

Physical Properties
Molecular Weight: 470.612 g/mol	logS: -8.68888	SlogP: 8.1862	Reactive groups: 0

Topological Properties
Globularity: 0.15739	Sterimol/B1: 2.56671	Sterimol/B2: 4.61159	Sterimol/B3: 7.43698
Sterimol/B4: 7.87596	Sterimol/L: 15.7552

Surface and Volume Properties
Accessible surface: 737.753	Positive charged surface: 469.537	Negative charged surface: 268.215	Volume: 478.625
Hydrophobic surface: 734.213	Hydrophilic surface: 3.5400000000001

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.