MMsINC Database Search


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MMsINC code: MMs01973885

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

O(C(=O)c1ccc(Nc2cc(nc3c2cccc3C)C)cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.722 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -4.44933	SlogP: 4.38184	Reactive groups: 0

Topological Properties
Globularity: 0.0280887	Sterimol/B1: 2.66245	Sterimol/B2: 3.2919	Sterimol/B3: 4.20989
Sterimol/B4: 5.94943	Sterimol/L: 17.3528

Surface and Volume Properties
Accessible surface: 564.631	Positive charged surface: 365.581	Negative charged surface: 194.142	Volume: 301.625
Hydrophobic surface: 504.824	Hydrophilic surface: 59.807

Pharmacophoric Properties
Hydrogen bond donors: 1	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.