MMsINC Database Search


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MMsINC code: MMs03524625

Type: Neutral
Formula: C₁₉H₁₆O₂

SMILES:

OC1c2c(-c3c(cc4c(c3)cccc4)C1O)c(ccc2)C

InChI:

InChI=1/C19H16O2/c1-11-5-4-8-14-17(11)15-9-12-6-2-3-7-13(12)10-16(15)19(21)18(14)20/h2-10,18-21H,1H3/t18-,19+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.685 kcal/mol

Physical Properties
Molecular Weight: 276.335 g/mol	logS: -5.85394	SlogP: 4.08662	Reactive groups: 0

Topological Properties
Globularity: 0.0665058	Sterimol/B1: 2.44888	Sterimol/B2: 2.85256	Sterimol/B3: 3.93524
Sterimol/B4: 7.5585	Sterimol/L: 14.1841

Surface and Volume Properties
Accessible surface: 485.268	Positive charged surface: 273.03	Negative charged surface: 196.766	Volume: 272.25
Hydrophobic surface: 404.024	Hydrophilic surface: 81.244

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.