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MMsINC code: MMs00767157

Type: Neutral
Formula: C₁₇H₂₀N₂O

SMILES:

O=C(NCCN(C)C)c1ccccc1-c1ccccc1

InChI:

InChI=1/C17H20N2O/c1-19(2)13-12-18-17(20)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.3977 kcal/mol

Physical Properties
Molecular Weight: 268.36 g/mol	logS: -3.85528	SlogP: 2.645	Reactive groups: 0

Topological Properties
Globularity: 0.0610051	Sterimol/B1: 2.95285	Sterimol/B2: 3.89659	Sterimol/B3: 5.82583
Sterimol/B4: 6.08893	Sterimol/L: 14.3035

Surface and Volume Properties
Accessible surface: 536.026	Positive charged surface: 384.199	Negative charged surface: 149.402	Volume: 283.25
Hydrophobic surface: 510.837	Hydrophilic surface: 25.189

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

MMs00767158
CHEMBRIDGE-ZINC04272399