MMsINC Database Search


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MMsINC code: MMs02385113

Type: Neutral
Formula: C₁₉H₂₄N₂

SMILES:

N(C(c1ccccc1)c1ccccc1)C1CCCN(C1)C

InChI:

InChI=1/C19H24N2/c1-21-14-8-13-18(15-21)20-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-20H,8,13-15H2,1H3/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1013 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -3.34355	SlogP: 3.5553	Reactive groups: 0

Topological Properties
Globularity: 0.217854	Sterimol/B1: 2.87285	Sterimol/B2: 3.54772	Sterimol/B3: 5.51318
Sterimol/B4: 7.80911	Sterimol/L: 13.0556

Surface and Volume Properties
Accessible surface: 552.935	Positive charged surface: 388.195	Negative charged surface: 164.74	Volume: 306.875
Hydrophobic surface: 546.655	Hydrophilic surface: 6.28

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

MMs02385114
NCID-ZINC04404258