MMsINC Database Search


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MMsINC code: MMs03061572

Type: Neutral
Formula: C₁₉H₂₄N₂

SMILES:

N1CCC(Cc2ccccc2)C1c1ccc(N(C)C)cc1

InChI:

InChI=1/C19H24N2/c1-21(2)18-10-8-16(9-11-18)19-17(12-13-20-19)14-15-6-4-3-5-7-15/h3-11,17,19-20H,12-14H2,1-2H3/t17-,19+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2261 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -3.3091	SlogP: 3.74137	Reactive groups: 0

Topological Properties
Globularity: 0.161967	Sterimol/B1: 3.28973	Sterimol/B2: 3.63517	Sterimol/B3: 4.55533
Sterimol/B4: 6.68935	Sterimol/L: 14.4212

Surface and Volume Properties
Accessible surface: 551.659	Positive charged surface: 414.339	Negative charged surface: 137.32	Volume: 305.625
Hydrophobic surface: 525.745	Hydrophilic surface: 25.914

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

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

MMs03061573
PUBCHEM-ZINC03732519