MMsINC Database Search


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MMsINC code: MMs01206291

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

o1c2c(nc1-c1cc(C)c(NC(=O)C3CC3)cc1)cc(cc2)C

InChI:

InChI=1/C19H18N2O2/c1-11-3-8-17-16(9-11)21-19(23-17)14-6-7-15(12(2)10-14)20-18(22)13-4-5-13/h3,6-10,13H,4-5H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.4123 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -5.84589	SlogP: 4.46014	Reactive groups: 0

Topological Properties
Globularity: 0.0163928	Sterimol/B1: 2.77129	Sterimol/B2: 2.85998	Sterimol/B3: 3.38834
Sterimol/B4: 6.30924	Sterimol/L: 18.9963

Surface and Volume Properties
Accessible surface: 590.408	Positive charged surface: 356.676	Negative charged surface: 233.731	Volume: 305.125
Hydrophobic surface: 476.862	Hydrophilic surface: 113.546

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.