MMsINC Database Search


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MMsINC code: MMs02295200

Type: Neutral
Formula: C₂₆H₂₂O

SMILES:

O=C(c1ccccc1Cc1c2c(ccc1)cccc2)c1cc(C)c(cc1)C

InChI:

InChI=1/C26H22O/c1-18-14-15-23(16-19(18)2)26(27)25-13-6-4-9-22(25)17-21-11-7-10-20-8-3-5-12-24(20)21/h3-16H,17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.539 kcal/mol

Physical Properties
Molecular Weight: 350.461 g/mol	logS: -8.39979	SlogP: 6.27841	Reactive groups: 0

Topological Properties
Globularity: 0.136031	Sterimol/B1: 2.51289	Sterimol/B2: 4.95964	Sterimol/B3: 6.07126
Sterimol/B4: 6.19877	Sterimol/L: 16.3176

Surface and Volume Properties
Accessible surface: 609.173	Positive charged surface: 330.757	Negative charged surface: 268.153	Volume: 362.75
Hydrophobic surface: 589.279	Hydrophilic surface: 19.894

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.