MMsINC Database Search


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MMsINC code: MMs00662885

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

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

InChI:

InChI=1/C24H24N2O2/c1-17-7-3-5-9-21(17)23(27)25-15-19-11-13-20(14-12-19)16-26-24(28)22-10-6-4-8-18(22)2/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)=91.5186 kcal/mol

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

Topological Properties
Globularity: 0.0175142	Sterimol/B1: 3.01636	Sterimol/B2: 3.6333	Sterimol/B3: 3.70459
Sterimol/B4: 6.7487	Sterimol/L: 21.7377

Surface and Volume Properties
Accessible surface: 688.489	Positive charged surface: 414.289	Negative charged surface: 274.2	Volume: 379.625
Hydrophobic surface: 619.504	Hydrophilic surface: 68.985

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.