MMsINC Database Search


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MMsINC code: MMs03540958

Type: Neutral
Formula: C₁₆H₁₂O₂

SMILES:

OC1c2c3c4c(cccc4ccc3ccc2)C1O

InChI:

InChI=1/C16H12O2/c17-15-11-5-1-3-9-7-8-10-4-2-6-12(16(15)18)14(10)13(9)11/h1-8,15-18H/t15-,16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.2793 kcal/mol

Physical Properties
Molecular Weight: 236.27 g/mol	logS: -4.83152	SlogP: 3.2644	Reactive groups: 0

Topological Properties
Globularity: 0.103228	Sterimol/B1: 3.35544	Sterimol/B2: 3.71398	Sterimol/B3: 4.82377
Sterimol/B4: 4.84586	Sterimol/L: 12.0611

Surface and Volume Properties
Accessible surface: 419.912	Positive charged surface: 234.726	Negative charged surface: 166.408	Volume: 224.875
Hydrophobic surface: 330.758	Hydrophilic surface: 89.154

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.