MMsINC Database Search


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MMsINC code: MMs02350902

Type: Neutral
Formula: C₂₆H₂₄O

SMILES:

O(C(Cc1c2c(ccc1)cccc2)(c1ccccc1)c1ccccc1)CC

InChI:

InChI=1/C26H24O/c1-2-27-26(23-15-5-3-6-16-23,24-17-7-4-8-18-24)20-22-14-11-13-21-12-9-10-19-25(21)22/h3-19H,2,20H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=203.123 kcal/mol

Physical Properties
Molecular Weight: 352.477 g/mol	logS: -7.30344	SlogP: 6.67407	Reactive groups: 0

Topological Properties
Globularity: 0.27879	Sterimol/B1: 2.26903	Sterimol/B2: 4.91606	Sterimol/B3: 6.66982
Sterimol/B4: 6.78017	Sterimol/L: 14.1803

Surface and Volume Properties
Accessible surface: 580.84	Positive charged surface: 327.494	Negative charged surface: 248.509	Volume: 368.375
Hydrophobic surface: 560.858	Hydrophilic surface: 19.982

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.