MMsINC Database Search


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MMsINC code: MMs00510408

Type: Neutral
Formula: C₁₅H₁₂O

SMILES:

O=C1c2c(-c3c1cccc3)c(cc(c2)C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.6662 kcal/mol

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

Topological Properties
Globularity: 0.0135487	Sterimol/B1: 2.51216	Sterimol/B2: 2.51535	Sterimol/B3: 4.43341
Sterimol/B4: 5.35539	Sterimol/L: 12.951

Surface and Volume Properties
Accessible surface: 419.725	Positive charged surface: 224.094	Negative charged surface: 185.276	Volume: 213.875
Hydrophobic surface: 373.216	Hydrophilic surface: 46.509

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.