MMsINC Database Search


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MMsINC code: MMs01332082

Type: Neutral
Formula: C₂₀H₂₄O₂

SMILES:

Oc1ccc(cc1)C(C)(C1CCCCC1)c1ccc(O)cc1

InChI:

InChI=1/C20H24O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h7-15,21-22H,2-6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.416 kcal/mol

Physical Properties
Molecular Weight: 296.41 g/mol	logS: -6.28186	SlogP: 4.9841	Reactive groups: 0

Topological Properties
Globularity: 0.278814	Sterimol/B1: 2.00954	Sterimol/B2: 5.8966	Sterimol/B3: 6.22248
Sterimol/B4: 6.89638	Sterimol/L: 12.2667

Surface and Volume Properties
Accessible surface: 528.177	Positive charged surface: 350.341	Negative charged surface: 177.836	Volume: 306.5
Hydrophobic surface: 411.614	Hydrophilic surface: 116.563

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.