MMsINC Database Search


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MMsINC code: MMs00731096

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O=C(N1CCc2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc12)C

InChI:

InChI=1/C24H22N2O2/c1-17(27)26-15-14-20-16-21(12-13-22(20)26)25-24(28)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,23H,14-15H2,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.446 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -5.34613	SlogP: 4.36617	Reactive groups: 0

Topological Properties
Globularity: 0.0714539	Sterimol/B1: 3.70016	Sterimol/B2: 4.12733	Sterimol/B3: 5.63512
Sterimol/B4: 6.00733	Sterimol/L: 16.6369

Surface and Volume Properties
Accessible surface: 641.095	Positive charged surface: 392.811	Negative charged surface: 248.284	Volume: 367
Hydrophobic surface: 579.923	Hydrophilic surface: 61.172

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.