MMsINC Database Search


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MMsINC code: MMs02878028

Type: Neutral
Formula: C₁₅H₁₂O

SMILES:

OCc1c2c3c(ccc2ccc1)cccc3

InChI:

InChI=1/C15H12O/c16-10-13-6-3-5-12-9-8-11-4-1-2-7-14(11)15(12)13/h1-9,16H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5931 kcal/mol

Physical Properties
Molecular Weight: 208.26 g/mol	logS: -4.91166	SlogP: 3.7517	Reactive groups: 0

Topological Properties
Globularity: 0.0358394	Sterimol/B1: 2.63904	Sterimol/B2: 2.72733	Sterimol/B3: 4.18446
Sterimol/B4: 5.90081	Sterimol/L: 11.7897

Surface and Volume Properties
Accessible surface: 409.801	Positive charged surface: 224.342	Negative charged surface: 166.721	Volume: 212.25
Hydrophobic surface: 355.307	Hydrophilic surface: 54.494

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.