MMsINC Database Search


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MMsINC code: MMs02823549

Type: Neutral
Formula: C₁₈H₁₂O

SMILES:

Oc1cc2c(c3c(c4c(cc3)cccc4)cc2)cc1

InChI:

InChI=1/C18H12O/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-11,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.9465 kcal/mol

Physical Properties
Molecular Weight: 244.293 g/mol	logS: -6.65657	SlogP: 4.8518	Reactive groups: 0

Topological Properties
Globularity: 0.0019169	Sterimol/B1: 2.097	Sterimol/B2: 2.24342	Sterimol/B3: 4.46556
Sterimol/B4: 4.60067	Sterimol/L: 14.8854

Surface and Volume Properties
Accessible surface: 457.114	Positive charged surface: 212.889	Negative charged surface: 211.012	Volume: 242.75
Hydrophobic surface: 405.785	Hydrophilic surface: 51.329

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.