MMsINC Database Search


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MMsINC code: MMs02671658

Type: Neutral
Formula: C₁₇H₁₈N₂O₂

SMILES:

O=C(CCC)c1ccc(NC(=O)Nc2ccccc2)cc1

InChI:

InChI=1/C17H18N2O2/c1-2-6-16(20)13-9-11-15(12-10-13)19-17(21)18-14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3,(H2,18,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1647 kcal/mol

Physical Properties
Molecular Weight: 282.343 g/mol	logS: -4.28131	SlogP: 4.3134	Reactive groups: 0

Topological Properties
Globularity: 0.0272607	Sterimol/B1: 2.57619	Sterimol/B2: 3.68602	Sterimol/B3: 3.83434
Sterimol/B4: 4.09791	Sterimol/L: 19.3223

Surface and Volume Properties
Accessible surface: 553.781	Positive charged surface: 345.898	Negative charged surface: 207.883	Volume: 284.5
Hydrophobic surface: 438.863	Hydrophilic surface: 114.918

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.