MMsINC Database Search


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MMsINC code: MMs02221197

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

O=C(C(n1ncc(C)c1-c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H20N2O/c1-18-17-25-26(22(18)19-11-5-2-6-12-19)23(20-13-7-3-8-14-20)24(27)21-15-9-4-10-16-21/h2-17,23H,1H3/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.576 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -6.13773	SlogP: 5.42632	Reactive groups: 0

Topological Properties
Globularity: 0.335512	Sterimol/B1: 2.79611	Sterimol/B2: 5.86148	Sterimol/B3: 6.04176
Sterimol/B4: 6.93299	Sterimol/L: 13.2745

Surface and Volume Properties
Accessible surface: 613.324	Positive charged surface: 343.188	Negative charged surface: 270.136	Volume: 359.25
Hydrophobic surface: 587.706	Hydrophilic surface: 25.618

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.