MMsINC Database Search


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MMsINC code: MMs02368404

Type: Neutral
Formula: C₁₉H₁₈N₂O

SMILES:

O=C(Cc1nc2c(cc1)cccc2)c1ccc(N(C)C)cc1

InChI:

InChI=1/C19H18N2O/c1-21(2)17-11-8-15(9-12-17)19(22)13-16-10-7-14-5-3-4-6-18(14)20-16/h3-12H,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.6597 kcal/mol

Physical Properties
Molecular Weight: 290.366 g/mol	logS: -4.18803	SlogP: 3.72617	Reactive groups: 0

Topological Properties
Globularity: 0.0270493	Sterimol/B1: 2.5497	Sterimol/B2: 2.87118	Sterimol/B3: 3.70762
Sterimol/B4: 5.57888	Sterimol/L: 18.2602

Surface and Volume Properties
Accessible surface: 556.465	Positive charged surface: 360.098	Negative charged surface: 191.371	Volume: 297
Hydrophobic surface: 516.999	Hydrophilic surface: 39.466

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: no related molecules available.