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MMsINC code: MMs02359869

Type: Neutral
Formula: C₂₀H₂₄N₂O

SMILES:

O=C(NCC1C(C1c1ccccc1)c1ccccc1)CCNC

InChI:

InChI=1/C20H24N2O/c1-21-13-12-18(23)22-14-17-19(15-8-4-2-5-9-15)20(17)16-10-6-3-7-11-16/h2-11,17,19-21H,12-14H2,1H3,(H,22,23)/t19-,20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.3556 kcal/mol

Physical Properties
Molecular Weight: 308.425 g/mol	logS: -3.045	SlogP: 2.9095	Reactive groups: 0

Topological Properties
Globularity: 0.0797881	Sterimol/B1: 3.55437	Sterimol/B2: 3.88772	Sterimol/B3: 5.79012
Sterimol/B4: 7.81976	Sterimol/L: 16.3884

Surface and Volume Properties
Accessible surface: 620.068	Positive charged surface: 411.831	Negative charged surface: 208.236	Volume: 328.75
Hydrophobic surface: 544.837	Hydrophilic surface: 75.231

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs02359870
NCID-ZINC01742748