MMsINC Database Search


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MMsINC code: MMs02214671

Type: Neutral
Formula: C₁₅H₁₆N₂O

SMILES:

O=C(N(C)c1ccccc1)N(C)c1ccccc1

InChI:

InChI=1/C15H16N2O/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=206.383 kcal/mol

Physical Properties
Molecular Weight: 240.306 g/mol	logS: -3.04007	SlogP: 3.3792	Reactive groups: 0

Topological Properties
Globularity: 0.0114349	Sterimol/B1: 1.97182	Sterimol/B2: 2.3559	Sterimol/B3: 2.40574
Sterimol/B4: 6.82202	Sterimol/L: 14.3644

Surface and Volume Properties
Accessible surface: 459.511	Positive charged surface: 281.8	Negative charged surface: 177.711	Volume: 241.125
Hydrophobic surface: 442.408	Hydrophilic surface: 17.103

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.