MMsINC Database Search


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MMsINC code: MMs02314858

Type: Neutral
Formula: C₁₈H₁₀O₂

SMILES:

O=C1c2c(-c3c(cccc3)C1=O)ccc1c2cccc1

InChI:

InChI=1/C18H10O2/c19-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18(17)20/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4344 kcal/mol

Physical Properties
Molecular Weight: 258.276 g/mol	logS: -6.4478	SlogP: 3.8858	Reactive groups: 0

Topological Properties
Globularity: 0.00666494	Sterimol/B1: 2.43804	Sterimol/B2: 2.59326	Sterimol/B3: 4.39178
Sterimol/B4: 5.02362	Sterimol/L: 14.3625

Surface and Volume Properties
Accessible surface: 450.14	Positive charged surface: 198.199	Negative charged surface: 230.217	Volume: 243.375
Hydrophobic surface: 374.57	Hydrophilic surface: 75.57

Pharmacophoric Properties
Hydrogen bond donors: 0	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.