MMsINC Database Search


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MMsINC code: MMs01942458

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O(C)c1cc2c([nH]c(C(=O)N(Cc3ccccc3)C)c2C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.3954 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -3.84659	SlogP: 4.02352	Reactive groups: 0

Topological Properties
Globularity: 0.0695167	Sterimol/B1: 1.969	Sterimol/B2: 3.4146	Sterimol/B3: 4.32985
Sterimol/B4: 7.25187	Sterimol/L: 17.1282

Surface and Volume Properties
Accessible surface: 569.424	Positive charged surface: 372.798	Negative charged surface: 192.075	Volume: 312.875
Hydrophobic surface: 503.098	Hydrophilic surface: 66.326

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.