MMsINC Database Search


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MMsINC code: MMs02187384

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

OC(C(N(C(=O)N=C(c1ccccc1)c1ccccc1)C)C)c1ccccc1

InChI:

InChI=1/C24H24N2O2/c1-18(23(27)21-16-10-5-11-17-21)26(2)24(28)25-22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,23,27H,1-2H3/t18-,23+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.886 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.56757	SlogP: 4.7934	Reactive groups: 0

Topological Properties
Globularity: 0.0796404	Sterimol/B1: 2.22798	Sterimol/B2: 4.48436	Sterimol/B3: 5.51378
Sterimol/B4: 7.36881	Sterimol/L: 18.0986

Surface and Volume Properties
Accessible surface: 666.176	Positive charged surface: 398.956	Negative charged surface: 267.22	Volume: 382.75
Hydrophobic surface: 605.099	Hydrophilic surface: 61.077

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.