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MMsINC code: MMs02337363

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

O=C1N2N(c3c(-c4c2cccc4)cccc3)C(=O)C1CCCC

InChI:

InChI=1/C19H18N2O2/c1-2-3-8-15-18(22)20-16-11-6-4-9-13(16)14-10-5-7-12-17(14)21(20)19(15)23/h4-7,9-12,15H,2-3,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9053 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -6.04241	SlogP: 3.7682	Reactive groups: 0

Topological Properties
Globularity: 0.0356706	Sterimol/B1: 2.81673	Sterimol/B2: 3.88279	Sterimol/B3: 5.75705
Sterimol/B4: 6.11611	Sterimol/L: 15.5329

Surface and Volume Properties
Accessible surface: 530.677	Positive charged surface: 311.367	Negative charged surface: 208.213	Volume: 297
Hydrophobic surface: 450.5	Hydrophilic surface: 80.177

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02337364
NCID-ZINC01710120