MMsINC Database Search


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MMsINC code: MMs02854943

Type: Neutral
Formula: C₁₀H₁₆N₂

SMILES:

N(NC)C(Cc1ccccc1)C

InChI:

InChI=1/C10H16N2/c1-9(12-11-2)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.0972 kcal/mol

Physical Properties
Molecular Weight: 164.252 g/mol	logS: -1.02978	SlogP: 1.34157	Reactive groups: 1

Topological Properties
Globularity: 0.0986205	Sterimol/B1: 2.49572	Sterimol/B2: 2.75513	Sterimol/B3: 3.18097
Sterimol/B4: 6.25001	Sterimol/L: 10.5689

Surface and Volume Properties
Accessible surface: 384.531	Positive charged surface: 272.864	Negative charged surface: 111.667	Volume: 186
Hydrophobic surface: 340.739	Hydrophilic surface: 43.792

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.