MMsINC Database Search


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MMsINC code: MMs02312678

Type: Neutral
Formula: C₂₄H₂₆O₂

SMILES:

o1c2c(cc(cc2)C(C(CC)c2cc3cc(oc3cc2)C)CC)cc1C

InChI:

InChI=1/C24H26O2/c1-5-21(17-7-9-23-19(13-17)11-15(3)25-23)22(6-2)18-8-10-24-20(14-18)12-16(4)26-24/h7-14,21-22H,5-6H2,1-4H3/t21-,22+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8218 kcal/mol

Physical Properties
Molecular Weight: 346.47 g/mol	logS: -9.4545	SlogP: 7.48324	Reactive groups: 0

Topological Properties
Globularity: 0.0818728	Sterimol/B1: 2.40015	Sterimol/B2: 4.37281	Sterimol/B3: 4.71489
Sterimol/B4: 8.56769	Sterimol/L: 19.7328

Surface and Volume Properties
Accessible surface: 643.501	Positive charged surface: 399.704	Negative charged surface: 234.716	Volume: 365.5
Hydrophobic surface: 578.11	Hydrophilic surface: 65.391

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.