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MMsINC code: MMs02847494

Type: Neutral
Formula: C₁₉H₂₂N₂O

SMILES:

O=C1N(c2c(cccc2)C1(C)c1ccccc1)CCNCC

InChI:

InChI=1/C19H22N2O/c1-3-20-13-14-21-17-12-8-7-11-16(17)19(2,18(21)22)15-9-5-4-6-10-15/h4-12,20H,3,13-14H2,1-2H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.0447 kcal/mol

Physical Properties
Molecular Weight: 294.398 g/mol	logS: -3.60323	SlogP: 2.9487	Reactive groups: 0

Topological Properties
Globularity: 0.178765	Sterimol/B1: 4.17641	Sterimol/B2: 4.51148	Sterimol/B3: 4.7488
Sterimol/B4: 7.05464	Sterimol/L: 13.7963

Surface and Volume Properties
Accessible surface: 558.114	Positive charged surface: 360.387	Negative charged surface: 197.727	Volume: 308.375
Hydrophobic surface: 476.644	Hydrophilic surface: 81.47

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

MMs02847495
PUBCHEM-ZINC02008143