MMsINC Database Search


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MMsINC code: MMs03212682

Type: Neutral
Formula: C₁₆H₂₀N₂

SMILES:

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

InChI:

InChI=1/C16H20N2/c1-17-15-8-4-13(5-9-15)12-14-6-10-16(11-7-14)18(2)3/h4-11,17H,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2528 kcal/mol

Physical Properties
Molecular Weight: 240.35 g/mol	logS: -3.22513	SlogP: 3.38507	Reactive groups: 0

Topological Properties
Globularity: 0.119501	Sterimol/B1: 2.47444	Sterimol/B2: 3.1419	Sterimol/B3: 5.12753
Sterimol/B4: 5.77561	Sterimol/L: 15.4491

Surface and Volume Properties
Accessible surface: 512.225	Positive charged surface: 391.926	Negative charged surface: 120.299	Volume: 265
Hydrophobic surface: 488.177	Hydrophilic surface: 24.048

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.