MMsINC Database Search


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MMsINC code: MMs03546987

Type: Neutral
Formula: C₁₄H₁₀O₂

SMILES:

Oc1c2c(c3c(cccc3)c1O)cccc2

InChI:

InChI=1/C14H10O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)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)=76.0031 kcal/mol

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

Topological Properties
Globularity: 0.00919976	Sterimol/B1: 2.11539	Sterimol/B2: 2.21218	Sterimol/B3: 2.46309
Sterimol/B4: 6.6123	Sterimol/L: 12.1349

Surface and Volume Properties
Accessible surface: 400.175	Positive charged surface: 205.441	Negative charged surface: 172.591	Volume: 204.5
Hydrophobic surface: 315.641	Hydrophilic surface: 84.534

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.