MMsINC Database Search


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MMsINC code: MMs02211189

Type: Neutral
Formula: C₂₃H₂₀N₂O₃

SMILES:

O=C1N(CCN(C(=O)CC)c2ccccc2)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C23H20N2O3/c1-2-20(26)24(17-10-4-3-5-11-17)14-15-25-22(27)18-12-6-8-16-9-7-13-19(21(16)18)23(25)28/h3-13H,2,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6144 kcal/mol

Physical Properties
Molecular Weight: 372.424 g/mol	logS: -5.91218	SlogP: 3.879	Reactive groups: 0

Topological Properties
Globularity: 0.042894	Sterimol/B1: 2.10556	Sterimol/B2: 3.6272	Sterimol/B3: 3.67628
Sterimol/B4: 8.61243	Sterimol/L: 16.1403

Surface and Volume Properties
Accessible surface: 619.267	Positive charged surface: 361.265	Negative charged surface: 247.173	Volume: 356.75
Hydrophobic surface: 519.03	Hydrophilic surface: 100.237

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.