MMsINC Database Search


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MMsINC code: MMs01739132

Type: Neutral
Formula: C₁₉H₁₉NO₂

SMILES:

OC=1c2c(N(CCC)C(=O)C=1Cc1ccccc1)cccc2

InChI:

InChI=1/C19H19NO2/c1-2-12-20-17-11-7-6-10-15(17)18(21)16(19(20)22)13-14-8-4-3-5-9-14/h3-11,21H,2,12-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.6063 kcal/mol

Physical Properties
Molecular Weight: 293.366 g/mol	logS: -4.15122	SlogP: 3.95497	Reactive groups: 0

Topological Properties
Globularity: 0.108141	Sterimol/B1: 2.3661	Sterimol/B2: 3.69355	Sterimol/B3: 3.70812
Sterimol/B4: 9.03459	Sterimol/L: 13.5439

Surface and Volume Properties
Accessible surface: 530.765	Positive charged surface: 332.498	Negative charged surface: 198.267	Volume: 296.625
Hydrophobic surface: 464.503	Hydrophilic surface: 66.262

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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: no related molecules available.