MMsINC Database Search


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MMsINC code: MMs01379530

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O=C(N1CCN(CC1)C(=O)c1ccccc1)c1ccccc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.766 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -3.88226	SlogP: 2.59322	Reactive groups: 0

Topological Properties
Globularity: 0.107417	Sterimol/B1: 2.33265	Sterimol/B2: 4.20635	Sterimol/B3: 5.34771
Sterimol/B4: 5.72658	Sterimol/L: 14.6805

Surface and Volume Properties
Accessible surface: 548.92	Positive charged surface: 337.233	Negative charged surface: 211.687	Volume: 305.875
Hydrophobic surface: 491.894	Hydrophilic surface: 57.026

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.