MMsINC Database Search


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MMsINC code: MMs00346427

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

O(C)c1c(cccc1C)C(=O)Nc1c2c(nc(cc2)C)ccc1

InChI:

InChI=1/C19H18N2O2/c1-12-6-4-7-15(18(12)23-3)19(22)21-17-9-5-8-16-14(17)11-10-13(2)20-16/h4-11H,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.029 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -4.46765	SlogP: 4.11254	Reactive groups: 0

Topological Properties
Globularity: 0.0414187	Sterimol/B1: 3.09586	Sterimol/B2: 3.48565	Sterimol/B3: 5.05895
Sterimol/B4: 5.40091	Sterimol/L: 16.7784

Surface and Volume Properties
Accessible surface: 558.288	Positive charged surface: 349.706	Negative charged surface: 203.332	Volume: 302.75
Hydrophobic surface: 517.443	Hydrophilic surface: 40.845

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: no related molecules available.