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MMsINC code: MMs00761464

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

O=C1N(CCCO)C(=Nc2c1cccc2)\C=C\c1ccccc1

InChI:

InChI=1/C19H18N2O2/c22-14-6-13-21-18(12-11-15-7-2-1-3-8-15)20-17-10-5-4-9-16(17)19(21)23/h1-5,7-12,22H,6,13-14H2/b12-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.2225 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -4.35841	SlogP: 3.2682	Reactive groups: 0

Topological Properties
Globularity: 0.0300854	Sterimol/B1: 2.85123	Sterimol/B2: 3.32753	Sterimol/B3: 3.68071
Sterimol/B4: 8.36393	Sterimol/L: 16.2544

Surface and Volume Properties
Accessible surface: 570.278	Positive charged surface: 332.102	Negative charged surface: 238.176	Volume: 306.625
Hydrophobic surface: 475.722	Hydrophilic surface: 94.556

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.