MMsINC Database Search


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MMsINC code: MMs02123678

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O=C1N(N(CC1(C)C)c1ccccc1)C(=O)c1ccccc1C

InChI:

InChI=1/C19H20N2O2/c1-14-9-7-8-12-16(14)17(22)21-18(23)19(2,3)13-20(21)15-10-5-4-6-11-15/h4-12H,13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.16 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.31728	SlogP: 3.42522	Reactive groups: 0

Topological Properties
Globularity: 0.194329	Sterimol/B1: 2.71165	Sterimol/B2: 2.72973	Sterimol/B3: 5.22193
Sterimol/B4: 8.37379	Sterimol/L: 13.8084

Surface and Volume Properties
Accessible surface: 546.756	Positive charged surface: 331.802	Negative charged surface: 214.955	Volume: 308.875
Hydrophobic surface: 482.092	Hydrophilic surface: 64.664

Pharmacophoric Properties
Hydrogen bond donors: 0	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.