MMsINC Database Search


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MMsINC code: MMs01387365

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(C(=O)N(Cc2ccccc2)C)C)cc1

InChI:

InChI=1/C24H26N2O2/c1-19(24(27)26(2)17-20-9-5-3-6-10-20)25-22-13-15-23(16-14-22)28-18-21-11-7-4-8-12-21/h3-16,19,25H,17-18H2,1-2H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.668 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -5.16131	SlogP: 5.2574	Reactive groups: 0

Topological Properties
Globularity: 0.0630012	Sterimol/B1: 2.26216	Sterimol/B2: 3.33504	Sterimol/B3: 5.28839
Sterimol/B4: 8.59108	Sterimol/L: 20.3326

Surface and Volume Properties
Accessible surface: 692.654	Positive charged surface: 424.533	Negative charged surface: 268.12	Volume: 387.75
Hydrophobic surface: 623.15	Hydrophilic surface: 69.504

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.