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MMsINC code: MMs01654372

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O=C(C)c1ccc(NC(=O)CN2CCc3c(C2)cccc3)cc1

InChI:

InChI=1/C19H20N2O2/c1-14(22)15-6-8-18(9-7-15)20-19(23)13-21-11-10-16-4-2-3-5-17(16)12-21/h2-9H,10-13H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.361 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -3.7489	SlogP: 3.15237	Reactive groups: 0

Topological Properties
Globularity: 0.0503756	Sterimol/B1: 3.12712	Sterimol/B2: 3.79124	Sterimol/B3: 4.09929
Sterimol/B4: 5.46278	Sterimol/L: 17.9412

Surface and Volume Properties
Accessible surface: 578.418	Positive charged surface: 365.583	Negative charged surface: 212.835	Volume: 306.125
Hydrophobic surface: 494.588	Hydrophilic surface: 83.83

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs01654373
ENAMINE-ZINC06084969