MMsINC Database Search


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MMsINC code: MMs01567929

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O(C)c1cc(ccc1)C1=NN(C(=O)CC)C(C1)c1ccccc1O

InChI:

InChI=1/C19H20N2O3/c1-3-19(23)21-17(15-9-4-5-10-18(15)22)12-16(20-21)13-7-6-8-14(11-13)24-2/h4-11,17,22H,3,12H2,1-2H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.187 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -3.65928	SlogP: 3.584	Reactive groups: 0

Topological Properties
Globularity: 0.0915456	Sterimol/B1: 2.45783	Sterimol/B2: 3.24662	Sterimol/B3: 4.82367
Sterimol/B4: 9.20372	Sterimol/L: 15.3766

Surface and Volume Properties
Accessible surface: 583.442	Positive charged surface: 389.456	Negative charged surface: 193.986	Volume: 316.625
Hydrophobic surface: 480.138	Hydrophilic surface: 103.304

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.