MMsINC Database Search


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MMsINC code: MMs03212352

Type: Neutral
Formula: C₁₇H₂₀N₂O

SMILES:

O1c2cc(N(C)C)ccc2Cc2c1cc(N(C)C)cc2

InChI:

InChI=1/C17H20N2O/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14/h5-8,10-11H,9H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6441 kcal/mol

Physical Properties
Molecular Weight: 268.36 g/mol	logS: -3.59158	SlogP: 3.51507	Reactive groups: 0

Topological Properties
Globularity: 0.0178953	Sterimol/B1: 2.06541	Sterimol/B2: 3.29627	Sterimol/B3: 4.07756
Sterimol/B4: 4.80821	Sterimol/L: 16.1901

Surface and Volume Properties
Accessible surface: 522.257	Positive charged surface: 421.349	Negative charged surface: 100.908	Volume: 279
Hydrophobic surface: 521.793	Hydrophilic surface: 0.46399999999994

Pharmacophoric Properties
Hydrogen bond donors: 0	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.