MMsINC Database Search


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MMsINC code: MMs00448540

Type: Neutral
Formula: C₂₁H₁₆O₂

SMILES:

O(C)c1ccc2c(cccc2)c1-c1c2c(ccc1O)cccc2

InChI:

InChI=1/C21H16O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-13,22H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.399 kcal/mol

Physical Properties
Molecular Weight: 300.357 g/mol	logS: -7.25545	SlogP: 5.3742	Reactive groups: 0

Topological Properties
Globularity: 0.328076	Sterimol/B1: 2.23428	Sterimol/B2: 4.80371	Sterimol/B3: 5.24354
Sterimol/B4: 9.53971	Sterimol/L: 12.8721

Surface and Volume Properties
Accessible surface: 532.174	Positive charged surface: 313.412	Negative charged surface: 205.563	Volume: 298.5
Hydrophobic surface: 491.719	Hydrophilic surface: 40.455

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

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Ions/Tautomers related molecules: no related molecules available.