MMsINC Database Search


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MMsINC code: MMs03540800

Type: Neutral
Formula: C₂₀H₁₆O₂

SMILES:

OC1CCc2c(cc3c4c5c(ccc24)cccc5cc3)C1O

InChI:

InChI=1/C20H16O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-7,10,17,20-22H,8-9H2/t17-,20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.672 kcal/mol

Physical Properties
Molecular Weight: 288.346 g/mol	logS: -6.42414	SlogP: 4.01997	Reactive groups: 0

Topological Properties
Globularity: 0.0203028	Sterimol/B1: 2.82766	Sterimol/B2: 3.06445	Sterimol/B3: 4.34092
Sterimol/B4: 5.73607	Sterimol/L: 14.9838

Surface and Volume Properties
Accessible surface: 489.455	Positive charged surface: 265.794	Negative charged surface: 190.447	Volume: 279.25
Hydrophobic surface: 401.456	Hydrophilic surface: 87.999

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

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Ions/Tautomers related molecules: no related molecules available.