MMsINC Database Search


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MMsINC code: MMs03524339

Type: Neutral
Formula: C₁₅H₁₂O

SMILES:

Oc1c2c(ccc1C)cc1c(c2)cccc1

InChI:

InChI=1/C15H12O/c1-10-6-7-13-8-11-4-2-3-5-12(11)9-14(13)15(10)16/h2-9,16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.1735 kcal/mol

Physical Properties
Molecular Weight: 208.26 g/mol	logS: -4.93916	SlogP: 4.00702	Reactive groups: 0

Topological Properties
Globularity: 0.00819377	Sterimol/B1: 2.09713	Sterimol/B2: 2.50532	Sterimol/B3: 3.62607
Sterimol/B4: 4.99592	Sterimol/L: 13.3668

Surface and Volume Properties
Accessible surface: 418.636	Positive charged surface: 222.672	Negative charged surface: 173.596	Volume: 212.375
Hydrophobic surface: 382.003	Hydrophilic surface: 36.633

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.