MMsINC Database Search


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MMsINC code: MMs02672863

Type: Neutral
Formula: C₁₈H₁₅NO₂

SMILES:

Oc1ccc2c(cccc2)c1C(=O)Nc1ccccc1C

InChI:

InChI=1/C18H15NO2/c1-12-6-2-5-9-15(12)19-18(21)17-14-8-4-3-7-13(14)10-11-16(17)20/h2-11,20H,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4471 kcal/mol

Physical Properties
Molecular Weight: 277.323 g/mol	logS: -5.03127	SlogP: 4.10612	Reactive groups: 0

Topological Properties
Globularity: 0.101877	Sterimol/B1: 2.47542	Sterimol/B2: 3.11454	Sterimol/B3: 5.13822
Sterimol/B4: 6.71901	Sterimol/L: 14.6313

Surface and Volume Properties
Accessible surface: 508.278	Positive charged surface: 274.378	Negative charged surface: 224.028	Volume: 273
Hydrophobic surface: 438.925	Hydrophilic surface: 69.353

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.