MMsINC Database Search


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MMsINC code: MMs02379971

Type: Neutral
Formula: C₁₇H₂₀N₂

SMILES:

N1CC(N(CC1)Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C17H20N2/c1-3-7-15(8-4-1)14-19-12-11-18-13-17(19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.9959 kcal/mol

Physical Properties
Molecular Weight: 252.361 g/mol	logS: -2.94001	SlogP: 3.195	Reactive groups: 0

Topological Properties
Globularity: 0.15302	Sterimol/B1: 3.0005	Sterimol/B2: 3.31925	Sterimol/B3: 3.76178
Sterimol/B4: 6.98989	Sterimol/L: 13.1446

Surface and Volume Properties
Accessible surface: 487.489	Positive charged surface: 329.32	Negative charged surface: 158.169	Volume: 271.25
Hydrophobic surface: 451.231	Hydrophilic surface: 36.258

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

MMs02379973
NCID-ZINC02048148