MMsINC Database Search


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MMsINC code: MMs02632126

Type: Neutral
Formula: C₁₁H₁₆N₂O

SMILES:

O=C(N(C)C)c1ccc(C)c(N)c1C

InChI:

InChI=1/C11H16N2O/c1-7-5-6-9(8(2)10(7)12)11(14)13(3)4/h5-6H,12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.4947 kcal/mol

Physical Properties
Molecular Weight: 192.262 g/mol	logS: -1.46684	SlogP: 1.58744	Reactive groups: 0

Topological Properties
Globularity: 0.0700317	Sterimol/B1: 3.05211	Sterimol/B2: 3.23536	Sterimol/B3: 3.34665
Sterimol/B4: 5.59221	Sterimol/L: 12.1497

Surface and Volume Properties
Accessible surface: 407.979	Positive charged surface: 302.646	Negative charged surface: 105.333	Volume: 202
Hydrophobic surface: 338.989	Hydrophilic surface: 68.99

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.