MMsINC Database Search


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MMsINC code: MMs01538266

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

OC(=O)c1ccccc1C(=O)N1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C19H20N2O3/c22-18(16-8-4-5-9-17(16)19(23)24)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.0995 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -3.20905	SlogP: 2.6092	Reactive groups: 0

Topological Properties
Globularity: 0.137482	Sterimol/B1: 2.73586	Sterimol/B2: 4.17627	Sterimol/B3: 4.30205
Sterimol/B4: 6.82179	Sterimol/L: 14.5954

Surface and Volume Properties
Accessible surface: 562.225	Positive charged surface: 369.306	Negative charged surface: 192.92	Volume: 313.125
Hydrophobic surface: 454.113	Hydrophilic surface: 108.112

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.