MMsINC Database Search


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MMsINC code: MMs02277304

Type: Neutral
Formula: C₁₉H₁₄O

SMILES:

O(C)c1cc2c3c4c(ccc3ccc2cc1)cccc4

InChI:

InChI=1/C19H14O/c1-20-16-11-10-14-7-9-15-8-6-13-4-2-3-5-17(13)19(15)18(14)12-16/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.404 kcal/mol

Physical Properties
Molecular Weight: 258.32 g/mol	logS: -7.0689	SlogP: 5.1548	Reactive groups: 0

Topological Properties
Globularity: 0.0146811	Sterimol/B1: 2.24403	Sterimol/B2: 2.84054	Sterimol/B3: 3.51434
Sterimol/B4: 7.36032	Sterimol/L: 13.1807

Surface and Volume Properties
Accessible surface: 478.092	Positive charged surface: 265.608	Negative charged surface: 179.873	Volume: 261
Hydrophobic surface: 468.117	Hydrophilic surface: 9.975

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.