MMsINC Database Search


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MMsINC code: MMs02264288

Type: Neutral
Formula: C₁₉H₁₉NO₂

SMILES:

O=C(C1N(CCCC1)C(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H19NO2/c21-18(15-9-3-1-4-10-15)17-13-7-8-14-20(17)19(22)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.389 kcal/mol

Physical Properties
Molecular Weight: 293.366 g/mol	logS: -4.27842	SlogP: 3.5642	Reactive groups: 0

Topological Properties
Globularity: 0.127519	Sterimol/B1: 3.41486	Sterimol/B2: 3.98259	Sterimol/B3: 4.4345
Sterimol/B4: 7.55202	Sterimol/L: 14.1771

Surface and Volume Properties
Accessible surface: 533.36	Positive charged surface: 319.232	Negative charged surface: 214.128	Volume: 294
Hydrophobic surface: 499.813	Hydrophilic surface: 33.547

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.