MMsINC Database Search


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MMsINC code: MMs00639118

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(NCc1ccc(cc1)C)c1ccccc1C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C24H24N2O2/c1-17-7-11-19(12-8-17)15-25-23(27)21-5-3-4-6-22(21)24(28)26-16-20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8127 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -6.16078	SlogP: 4.69624	Reactive groups: 0

Topological Properties
Globularity: 0.0484047	Sterimol/B1: 2.43758	Sterimol/B2: 2.74212	Sterimol/B3: 5.24689
Sterimol/B4: 8.12823	Sterimol/L: 21.1868

Surface and Volume Properties
Accessible surface: 706.842	Positive charged surface: 427.333	Negative charged surface: 279.51	Volume: 380.375
Hydrophobic surface: 633.675	Hydrophilic surface: 73.167

Pharmacophoric Properties
Hydrogen bond donors: 2	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.