MMsINC Database Search


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MMsINC code: MMs01840508

Type: Neutral
Formula: C₂₅H₂₄N₂O₂

SMILES:

O(C)c1cc(ccc1)C1N(C(=O)C(Nc2ccc(cc2)C)=C1)c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.998 kcal/mol

Physical Properties
Molecular Weight: 384.479 g/mol	logS: -6.55811	SlogP: 5.49144	Reactive groups: 0

Topological Properties
Globularity: 0.0635104	Sterimol/B1: 2.86945	Sterimol/B2: 4.94322	Sterimol/B3: 5.65956
Sterimol/B4: 7.22577	Sterimol/L: 18.3224

Surface and Volume Properties
Accessible surface: 678.038	Positive charged surface: 431.2	Negative charged surface: 246.839	Volume: 390.75
Hydrophobic surface: 618.526	Hydrophilic surface: 59.512

Pharmacophoric Properties
Hydrogen bond donors: 1	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.