MMsINC Database Search


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MMsINC code: MMs00007471

Type: Neutral
Formula: C₇H₁₀N₂

SMILES:

N(C)c1ccccc1N

InChI:

InChI=1/C7H10N2/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.648 kcal/mol

Physical Properties
Molecular Weight: 122.171 g/mol	logS: -0.90222	SlogP: 1.3105	Reactive groups: 0

Topological Properties
Globularity: 0.0204847	Sterimol/B1: 2.37372	Sterimol/B2: 2.37638	Sterimol/B3: 4.05804
Sterimol/B4: 4.57265	Sterimol/L: 9.91341

Surface and Volume Properties
Accessible surface: 311.296	Positive charged surface: 222.742	Negative charged surface: 88.5535	Volume: 132.875
Hydrophobic surface: 241.881	Hydrophilic surface: 69.415

Pharmacophoric Properties
Hydrogen bond donors: 2	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.