MMsINC Database Search


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MMsINC code: MMs02879953

Type: Neutral
Formula: C₂₅H₂₄O₂

SMILES:

O(CC)c1ccc2c(cccc2)c1Cc1c2c(ccc1OCC)cccc2

InChI:

InChI=1/C25H24O2/c1-3-26-24-15-13-18-9-5-7-11-20(18)22(24)17-23-21-12-8-6-10-19(21)14-16-25(23)27-4-2/h5-16H,3-4,17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.735 kcal/mol

Physical Properties
Molecular Weight: 356.465 g/mol	logS: -7.69875	SlogP: 6.38117	Reactive groups: 0

Topological Properties
Globularity: 0.090463	Sterimol/B1: 3.31662	Sterimol/B2: 3.40246	Sterimol/B3: 3.84237
Sterimol/B4: 7.67843	Sterimol/L: 13.4807

Surface and Volume Properties
Accessible surface: 565.407	Positive charged surface: 348.01	Negative charged surface: 200.529	Volume: 364.5
Hydrophobic surface: 530.615	Hydrophilic surface: 34.792

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: 1

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Ions/Tautomers related molecules: no related molecules available.