MMsINC Database Search


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MMsINC code: MMs02331948

Type: Neutral
Formula: C₂₅H₁₆O₂

SMILES:

OC(=O)c1ccccc1-c1c2c(c3c(cc2)cccc3)cc2c1cccc2

InChI:

InChI=1/C25H16O2/c26-25(27)22-12-6-5-11-20(22)24-19-10-4-2-8-17(19)15-23-18-9-3-1-7-16(18)13-14-21(23)24/h1-15H,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.341 kcal/mol

Physical Properties
Molecular Weight: 348.401 g/mol	logS: -9.4143	SlogP: 6.5114	Reactive groups: 0

Topological Properties
Globularity: 0.14252	Sterimol/B1: 3.64222	Sterimol/B2: 4.23119	Sterimol/B3: 5.34187
Sterimol/B4: 8.11093	Sterimol/L: 14.4613

Surface and Volume Properties
Accessible surface: 573.199	Positive charged surface: 290.361	Negative charged surface: 259.343	Volume: 341.5
Hydrophobic surface: 501.972	Hydrophilic surface: 71.227

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs02331949
NCID-ZINC01702685