MMsINC Database Search


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MMsINC code: MMs02845699

Type: Neutral
Formula: C₁₀H₁₆N₂

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.0103 kcal/mol

Physical Properties
Molecular Weight: 164.252 g/mol	logS: -2.53409	SlogP: 2.0397	Reactive groups: 0

Topological Properties
Globularity: 0.101636	Sterimol/B1: 2.38558	Sterimol/B2: 3.45613	Sterimol/B3: 3.99895
Sterimol/B4: 4.81202	Sterimol/L: 13.1181

Surface and Volume Properties
Accessible surface: 401.794	Positive charged surface: 279.511	Negative charged surface: 122.283	Volume: 185.75
Hydrophobic surface: 254.69	Hydrophilic surface: 147.104

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.