MMsINC Database Search


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MMsINC code: MMs00848570

Type: Neutral
Formula: C₁₅H₁₆N₂O

SMILES:

O=C(N(C)c1ccccc1)NCc1ccccc1

InChI:

InChI=1/C15H16N2O/c1-17(14-10-6-3-7-11-14)15(18)16-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.0511 kcal/mol

Physical Properties
Molecular Weight: 240.306 g/mol	logS: -3.0901	SlogP: 3.299	Reactive groups: 0

Topological Properties
Globularity: 0.0698618	Sterimol/B1: 2.25701	Sterimol/B2: 2.76715	Sterimol/B3: 4.63558
Sterimol/B4: 5.20848	Sterimol/L: 16.2176

Surface and Volume Properties
Accessible surface: 494.177	Positive charged surface: 307.545	Negative charged surface: 186.631	Volume: 250.375
Hydrophobic surface: 456.609	Hydrophilic surface: 37.568

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.