MMsINC Database Search


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MMsINC code: MMs02409976

Type: Neutral
Formula: C₁₉H₃₀N₂O

SMILES:

OC1CN(CC1Cc1ccc(N(C)C)cc1)C1CCCCC1

InChI:

InChI=1/C19H30N2O/c1-20(2)17-10-8-15(9-11-17)12-16-13-21(14-19(16)22)18-6-4-3-5-7-18/h8-11,16,18-19,22H,3-7,12-14H2,1-2H3/t16-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6953 kcal/mol

Physical Properties
Molecular Weight: 302.462 g/mol	logS: -2.73898	SlogP: 2.92047	Reactive groups: 0

Topological Properties
Globularity: 0.0388817	Sterimol/B1: 2.30612	Sterimol/B2: 3.09093	Sterimol/B3: 3.74442
Sterimol/B4: 5.5161	Sterimol/L: 18.6119

Surface and Volume Properties
Accessible surface: 584.564	Positive charged surface: 483.889	Negative charged surface: 100.675	Volume: 328.875
Hydrophobic surface: 543.903	Hydrophilic surface: 40.661

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02409977
NCID-ZINC04823576