MMsINC Database Search


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MMsINC code: MMs02856824

Type: Neutral
Formula: C₁₅H₁₈N₂

SMILES:

N(C)(C)c1ccc(cc1)Cc1ccc(N)cc1

InChI:

InChI=1/C15H18N2/c1-17(2)15-9-5-13(6-10-15)11-12-3-7-14(16)8-4-12/h3-10H,11,16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8659 kcal/mol

Physical Properties
Molecular Weight: 226.323 g/mol	logS: -3.14955	SlogP: 2.92557	Reactive groups: 0

Topological Properties
Globularity: 0.128415	Sterimol/B1: 2.35709	Sterimol/B2: 2.97456	Sterimol/B3: 4.89266
Sterimol/B4: 4.99985	Sterimol/L: 14.1998

Surface and Volume Properties
Accessible surface: 476.598	Positive charged surface: 345.444	Negative charged surface: 131.154	Volume: 245.25
Hydrophobic surface: 416.835	Hydrophilic surface: 59.763

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.