MMsINC Database Search


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MMsINC code: MMs02412260

Type: Neutral
Formula: C₂₀H₁₆O₂

SMILES:

OC1C2c3c(C(c4c2cccc4)C1O)ccc1c3cccc1

InChI:

InChI=1/C20H16O2/c21-19-17-13-7-3-4-8-14(13)18(20(19)22)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10,17-22H/t17-,18+,19-,20+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.026 kcal/mol

Physical Properties
Molecular Weight: 288.346 g/mol	logS: -4.716	SlogP: 3.1524	Reactive groups: 0

Topological Properties
Globularity: 0.289432	Sterimol/B1: 3.69269	Sterimol/B2: 4.13017	Sterimol/B3: 4.82102
Sterimol/B4: 5.44052	Sterimol/L: 12.987

Surface and Volume Properties
Accessible surface: 492.401	Positive charged surface: 283.928	Negative charged surface: 197.971	Volume: 278.75
Hydrophobic surface: 417.674	Hydrophilic surface: 74.727

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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.