MMsINC Database Search


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MMsINC code: MMs02849373

Type: Neutral
Formula: C₁₄H₁₀O₂

SMILES:

Oc1c2c(cc3c1cccc3)cccc2O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8289 kcal/mol

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

Topological Properties
Globularity: 0.0078667	Sterimol/B1: 2.12531	Sterimol/B2: 2.22728	Sterimol/B3: 3.69156
Sterimol/B4: 5.01844	Sterimol/L: 12.2108

Surface and Volume Properties
Accessible surface: 405.871	Positive charged surface: 215.347	Negative charged surface: 168.382	Volume: 203.125
Hydrophobic surface: 331.712	Hydrophilic surface: 74.159

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.