MMsINC Database Search


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MMsINC code: MMs03153291

Type: Neutral
Formula: C₁₈H₁₅NO₂

SMILES:

o1cccc1-c1ccc(cc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C18H15NO2/c20-18(19-13-14-5-2-1-3-6-14)16-10-8-15(9-11-16)17-7-4-12-21-17/h1-12H,13H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.7538 kcal/mol

Physical Properties
Molecular Weight: 277.323 g/mol	logS: -5.29274	SlogP: 4.143	Reactive groups: 0

Topological Properties
Globularity: 0.0372957	Sterimol/B1: 2.38071	Sterimol/B2: 3.61717	Sterimol/B3: 3.61841
Sterimol/B4: 6.45111	Sterimol/L: 17.4533

Surface and Volume Properties
Accessible surface: 542.59	Positive charged surface: 281.25	Negative charged surface: 261.34	Volume: 278.125
Hydrophobic surface: 489.384	Hydrophilic surface: 53.206

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

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Ions/Tautomers related molecules: no related molecules available.