MMsINC Database Search


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MMsINC code: MMs02395379

Type: Neutral
Formula: C₁₆H₂₁N₃

SMILES:

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

InChI:

InChI=1/C16H21N3/c1-18(2)15-9-5-13(6-10-15)17-14-7-11-16(12-8-14)19(3)4/h5-12,17H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.861 kcal/mol

Physical Properties
Molecular Weight: 255.365 g/mol	logS: -2.86002	SlogP: 3.5622	Reactive groups: 0

Topological Properties
Globularity: 0.0349633	Sterimol/B1: 2.71473	Sterimol/B2: 3.80439	Sterimol/B3: 4.09465
Sterimol/B4: 4.53891	Sterimol/L: 16.5299

Surface and Volume Properties
Accessible surface: 523.636	Positive charged surface: 421.12	Negative charged surface: 102.516	Volume: 277.375
Hydrophobic surface: 504.757	Hydrophilic surface: 18.879

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.