MMsINC Database Search


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MMsINC code: MMs03547859

Type: Neutral
Formula: C₁₄H₁₀O₂

SMILES:

Oc1c2c(ccc1O)cc1c(c2)cccc1

InChI:

InChI=1/C14H10O2/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)16/h1-8,15-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.2368 kcal/mol

Physical Properties
Molecular Weight: 210.232 g/mol	logS: -4.41674	SlogP: 3.4042	Reactive groups: 0

Topological Properties
Globularity: 0.00671296	Sterimol/B1: 2.13189	Sterimol/B2: 2.18848	Sterimol/B3: 3.90011
Sterimol/B4: 4.59893	Sterimol/L: 12.8242

Surface and Volume Properties
Accessible surface: 414.234	Positive charged surface: 215.615	Negative charged surface: 176.476	Volume: 202.5
Hydrophobic surface: 323.023	Hydrophilic surface: 91.211

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

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Ions/Tautomers related molecules: no related molecules available.