MMsINC Database Search


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MMsINC code: MMs03212244

Type: Neutral
Formula: C₁₅H₁₈N₂O

SMILES:

Oc1ccc(N(C)c2ccccc2)cc1N(C)C

InChI:

InChI=1/C15H18N2O/c1-16(2)14-11-13(9-10-15(14)18)17(3)12-7-5-4-6-8-12/h4-11,18H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.851 kcal/mol

Physical Properties
Molecular Weight: 242.322 g/mol	logS: -2.70161	SlogP: 3.2261	Reactive groups: 0

Topological Properties
Globularity: 0.229363	Sterimol/B1: 2.10399	Sterimol/B2: 3.52012	Sterimol/B3: 4.77087
Sterimol/B4: 6.67873	Sterimol/L: 12.8379

Surface and Volume Properties
Accessible surface: 485.805	Positive charged surface: 362.618	Negative charged surface: 123.187	Volume: 255
Hydrophobic surface: 439.191	Hydrophilic surface: 46.614

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.