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MMsINC code: MMs01384191

Type: Neutral
Formula: C₁₉H₂₂N₂O

SMILES:

O=C(NC(C)c1ccccc1)CN1CCc2c(C1)cccc2

InChI:

InChI=1/C19H22N2O/c1-15(16-7-3-2-4-8-16)20-19(22)14-21-12-11-17-9-5-6-10-18(17)13-21/h2-10,15H,11-14H2,1H3,(H,20,22)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.9645 kcal/mol

Physical Properties
Molecular Weight: 294.398 g/mol	logS: -3.70788	SlogP: 3.28397	Reactive groups: 0

Topological Properties
Globularity: 0.0645553	Sterimol/B1: 2.02679	Sterimol/B2: 4.24364	Sterimol/B3: 5.09351
Sterimol/B4: 5.63937	Sterimol/L: 17.6532

Surface and Volume Properties
Accessible surface: 579.473	Positive charged surface: 368.813	Negative charged surface: 210.659	Volume: 308.625
Hydrophobic surface: 525.726	Hydrophilic surface: 53.747

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01384192
ENAMINE-ZINC03342760