MMsINC Database Search


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MMsINC code: MMs00797000

Type: Neutral
Formula: C₂₃H₂₂N₂O₂

SMILES:

O=C(NCCc1ccccc1)c1ccccc1N(C(=O)c1ccccc1)C

InChI:

InChI=1/C23H22N2O2/c1-25(23(27)19-12-6-3-7-13-19)21-15-9-8-14-20(21)22(26)24-17-16-18-10-4-2-5-11-18/h2-15H,16-17H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.274 kcal/mol

Physical Properties
Molecular Weight: 358.441 g/mol	logS: -5.22438	SlogP: 3.93567	Reactive groups: 0

Topological Properties
Globularity: 0.0846429	Sterimol/B1: 2.14126	Sterimol/B2: 5.44957	Sterimol/B3: 6.96307
Sterimol/B4: 6.99616	Sterimol/L: 15.6039

Surface and Volume Properties
Accessible surface: 644.655	Positive charged surface: 390.658	Negative charged surface: 253.996	Volume: 360.875
Hydrophobic surface: 599.677	Hydrophilic surface: 44.978

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.