MMsINC Database Search


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MMsINC code: MMs02310958

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O=C(C(CCN(C)C)(c1ccccc1)c1ncccc1)CC

InChI:

InChI=1/C19H24N2O/c1-4-18(22)19(13-15-21(2)3,16-10-6-5-7-11-16)17-12-8-9-14-20-17/h5-12,14H,4,13,15H2,1-3H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.5834 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -2.47185	SlogP: 3.2985	Reactive groups: 1

Topological Properties
Globularity: 0.450177	Sterimol/B1: 2.01878	Sterimol/B2: 2.55689	Sterimol/B3: 7.90938
Sterimol/B4: 9.42457	Sterimol/L: 13.144

Surface and Volume Properties
Accessible surface: 546.459	Positive charged surface: 392.943	Negative charged surface: 153.515	Volume: 313.25
Hydrophobic surface: 508.022	Hydrophilic surface: 38.437

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs02310959
NCID-ZINC01675614