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MMsINC code: MMs00846894

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

OC(=O)c1cc(nc2c1cccc2)Nc1ccc(cc1)C(C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.1745 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -5.37876	SlogP: 4.8	Reactive groups: 0

Topological Properties
Globularity: 0.038035	Sterimol/B1: 2.13382	Sterimol/B2: 4.44301	Sterimol/B3: 4.63529
Sterimol/B4: 5.69348	Sterimol/L: 15.8583

Surface and Volume Properties
Accessible surface: 554.525	Positive charged surface: 339.021	Negative charged surface: 209.925	Volume: 302.375
Hydrophobic surface: 392.99	Hydrophilic surface: 161.535

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00846895
CHEMDIV-ZINC00257763