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NCID-ZINC01557764

MMsINC code: MMs02220870

Type: Neutral
Formula: C₉H₁₄N₂

SMILES:

N(NCc1ccccc1)(C)C

InChI:

InChI=1/C9H14N2/c1-11(2)10-8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.2523 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 150.225 g/mol	logS: -0.71668	SlogP: 1.5192	Reactive groups: 0

Topological Properties
Globularity: 0.0605288	Sterimol/B1: 2.44009	Sterimol/B2: 2.57832	Sterimol/B3: 3.29516
Sterimol/B4: 4.82241	Sterimol/L: 12.0774

Surface and Volume Properties
Accessible surface: 383.62	Positive charged surface: 288.6	Negative charged surface: 95.0192	Volume: 174.125
Hydrophobic surface: 361.582	Hydrophilic surface: 22.038

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02220871
NCID-ZINC01557764