MMsINC Database Search


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MMsINC code: MMs03545864

Type: Neutral
Formula: C₁₆H₁₀O

SMILES:

Oc1c2c3c(-c4c(-c3ccc2)cccc4)cc1

InChI:

InChI=1/C16H10O/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.184 kcal/mol

Physical Properties
Molecular Weight: 218.255 g/mol	logS: -6.10807	SlogP: 4.1928	Reactive groups: 0

Topological Properties
Globularity: 0.00323711	Sterimol/B1: 2.097	Sterimol/B2: 2.24456	Sterimol/B3: 4.45413
Sterimol/B4: 5.29068	Sterimol/L: 12.375

Surface and Volume Properties
Accessible surface: 416.677	Positive charged surface: 202.926	Negative charged surface: 180.834	Volume: 215
Hydrophobic surface: 371.679	Hydrophilic surface: 44.998

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.