MMsINC Database Search


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MMsINC code: MMs01952655

Type: Neutral
Formula: C₂₅H₂₄N₂O₂

SMILES:

O=C1N(CC(=O)N(C1c1ccc(cc1)C)c1ccccc1)c1cccc(C)c1C

InChI:

InChI=1/C25H24N2O2/c1-17-12-14-20(15-13-17)24-25(29)26(22-11-7-8-18(2)19(22)3)16-23(28)27(24)21-9-5-4-6-10-21/h4-15,24H,16H2,1-3H3/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=181.67 kcal/mol

Physical Properties
Molecular Weight: 384.479 g/mol	logS: -6.39647	SlogP: 4.82846	Reactive groups: 0

Topological Properties
Globularity: 0.100712	Sterimol/B1: 2.10492	Sterimol/B2: 4.01458	Sterimol/B3: 4.1646
Sterimol/B4: 10.7225	Sterimol/L: 15.3417

Surface and Volume Properties
Accessible surface: 650.022	Positive charged surface: 371.293	Negative charged surface: 278.729	Volume: 387.875
Hydrophobic surface: 595.023	Hydrophilic surface: 54.999

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.