MMsINC Database Search


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MMsINC code: MMs02219731

Type: Neutral
Formula: C₁₅H₁₂O

SMILES:

O=C1c2c(cc(cc2)C)-c2c1ccc(c2)C

InChI:

InChI=1/C15H12O/c1-9-3-5-11-13(7-9)14-8-10(2)4-6-12(14)15(11)16/h3-8H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.8899 kcal/mol

Physical Properties
Molecular Weight: 208.26 g/mol	logS: -5.18641	SlogP: 3.51484	Reactive groups: 0

Topological Properties
Globularity: 0.0117443	Sterimol/B1: 2.10285	Sterimol/B2: 2.3479	Sterimol/B3: 2.51213
Sterimol/B4: 7.04889	Sterimol/L: 12.8357

Surface and Volume Properties
Accessible surface: 428.151	Positive charged surface: 229.063	Negative charged surface: 187.623	Volume: 217.375
Hydrophobic surface: 383.267	Hydrophilic surface: 44.884

Pharmacophoric Properties
Hydrogen bond donors: 0	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.