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MMsINC code: MMs01478809

Type: Neutral
Formula: C₁₉H₂₄N₂O₂

SMILES:

o1cccc1C(N1CCCCC1)CNC(=O)c1ccccc1C

InChI:

InChI=1/C19H24N2O2/c1-15-8-3-4-9-16(15)19(22)20-14-17(18-10-7-13-23-18)21-11-5-2-6-12-21/h3-4,7-10,13,17H,2,5-6,11-12,14H2,1H3,(H,20,22)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.9924 kcal/mol

Physical Properties
Molecular Weight: 312.413 g/mol	logS: -4.17644	SlogP: 3.64052	Reactive groups: 0

Topological Properties
Globularity: 0.119405	Sterimol/B1: 3.00263	Sterimol/B2: 3.03352	Sterimol/B3: 5.0596
Sterimol/B4: 7.25681	Sterimol/L: 14.9389

Surface and Volume Properties
Accessible surface: 580.426	Positive charged surface: 380.46	Negative charged surface: 199.967	Volume: 320.625
Hydrophobic surface: 554.733	Hydrophilic surface: 25.693

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

MMs01478810
ENAMINE-ZINC03504455