MMsINC Database Search


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MMsINC code: MMs02277254

Type: Neutral
Formula: C₁₅H₁₂O₂

SMILES:

O(C)c1c2c(c3c(c1)c(O)ccc3)cccc2

InChI:

InChI=1/C15H12O2/c1-17-15-9-13-11(7-4-8-14(13)16)10-5-2-3-6-12(10)15/h2-9,16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.1348 kcal/mol

Physical Properties
Molecular Weight: 224.259 g/mol	logS: -4.82907	SlogP: 3.7072	Reactive groups: 0

Topological Properties
Globularity: 0.0129617	Sterimol/B1: 2.36521	Sterimol/B2: 2.37257	Sterimol/B3: 2.38488
Sterimol/B4: 8.49241	Sterimol/L: 12.1377

Surface and Volume Properties
Accessible surface: 430.019	Positive charged surface: 256.165	Negative charged surface: 151.672	Volume: 221.375
Hydrophobic surface: 380.822	Hydrophilic surface: 49.197

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.