MMsINC Database Search


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MMsINC code: MMs02297231

Type: Neutral
Formula: C₁₆H₁₆N₂O

SMILES:

o1c2c(nc1-c1ccc(N(C)C)cc1)cc(cc2)C

InChI:

InChI=1/C16H16N2O/c1-11-4-9-15-14(10-11)17-16(19-15)12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2737 kcal/mol

Physical Properties
Molecular Weight: 252.317 g/mol	logS: -5.10188	SlogP: 3.86922	Reactive groups: 0

Topological Properties
Globularity: 0.00669565	Sterimol/B1: 2.51233	Sterimol/B2: 2.51592	Sterimol/B3: 2.71352
Sterimol/B4: 5.26914	Sterimol/L: 16.9041

Surface and Volume Properties
Accessible surface: 511.175	Positive charged surface: 345.753	Negative charged surface: 165.421	Volume: 261.375
Hydrophobic surface: 471.199	Hydrophilic surface: 39.976

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.