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MMsINC code: MMs00845748

Type: Neutral
Formula: C₁₉H₃₀N₂O

SMILES:

O=C(NC1CCCCC1)C(N(CC)CC)c1ccc(cc1)C

InChI:

InChI=1/C19H30N2O/c1-4-21(5-2)18(16-13-11-15(3)12-14-16)19(22)20-17-9-7-6-8-10-17/h11-14,17-18H,4-10H2,1-3H3,(H,20,22)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.379 kcal/mol

Physical Properties
Molecular Weight: 302.462 g/mol	logS: -4.02838	SlogP: 3.92232	Reactive groups: 0

Topological Properties
Globularity: 0.10093	Sterimol/B1: 3.52339	Sterimol/B2: 3.54237	Sterimol/B3: 4.10614
Sterimol/B4: 7.15324	Sterimol/L: 15.5945

Surface and Volume Properties
Accessible surface: 568.988	Positive charged surface: 429.425	Negative charged surface: 139.563	Volume: 328.25
Hydrophobic surface: 516.52	Hydrophilic surface: 52.468

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

MMs00845749
CHEMDIV-ZINC00246245