MMsINC Database Search


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MMsINC code: MMs00563975

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

O(C)c1cc(ccc1)C(O)(c1ncccc1)c1ncccc1

InChI:

InChI=1/C18H16N2O2/c1-22-15-8-6-7-14(13-15)18(21,16-9-2-4-11-19-16)17-10-3-5-12-20-17/h2-13,21H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.062 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -2.53164	SlogP: 3.0809	Reactive groups: 0

Topological Properties
Globularity: 0.167397	Sterimol/B1: 3.55469	Sterimol/B2: 4.80478	Sterimol/B3: 5.73568
Sterimol/B4: 6.24985	Sterimol/L: 13.4853

Surface and Volume Properties
Accessible surface: 528.251	Positive charged surface: 368.989	Negative charged surface: 159.262	Volume: 285.125
Hydrophobic surface: 489.768	Hydrophilic surface: 38.483

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.