MMsINC Database Search


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MMsINC code: MMs02856650

Type: Neutral
Formula: C₁₈H₁₂O

SMILES:

Oc1c2c(c3c(c1)cccc3)ccc1c2cccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.96 kcal/mol

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

Topological Properties
Globularity: 0.00221447	Sterimol/B1: 2.14143	Sterimol/B2: 2.15694	Sterimol/B3: 4.3902
Sterimol/B4: 4.89291	Sterimol/L: 14.2955

Surface and Volume Properties
Accessible surface: 450.16	Positive charged surface: 211.798	Negative charged surface: 205.148	Volume: 242.375
Hydrophobic surface: 415.157	Hydrophilic surface: 35.003

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.