MMsINC Database Search


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MMsINC code: MMs02230622

Type: Neutral
Formula: C₁₆H₁₀O

SMILES:

O1c2c(-c3c4c(ccc3)cccc14)cccc2

InChI:

InChI=1/C16H10O/c1-2-9-14-12(7-1)13-8-3-5-11-6-4-10-15(17-14)16(11)13/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.1513 kcal/mol

Physical Properties
Molecular Weight: 218.255 g/mol	logS: -6.23809	SlogP: 4.6125	Reactive groups: 0

Topological Properties
Globularity: 9.44182e-08	Sterimol/B1: 2.097	Sterimol/B2: 2.09876	Sterimol/B3: 4.57325
Sterimol/B4: 5.51423	Sterimol/L: 12.372

Surface and Volume Properties
Accessible surface: 415.133	Positive charged surface: 203.555	Negative charged surface: 189.436	Volume: 216.875
Hydrophobic surface: 415.133	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.