MMsINC Database Search


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MMsINC code: MMs02645735

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

O=C(Nc1ccc(cc1)C)N(C(C)c1ccccc1)Cc1ccccc1

InChI:

InChI=1/C23H24N2O/c1-18-13-15-22(16-14-18)24-23(26)25(17-20-9-5-3-6-10-20)19(2)21-11-7-4-8-12-21/h3-16,19H,17H2,1-2H3,(H,24,26)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.5195 kcal/mol

Physical Properties
Molecular Weight: 344.458 g/mol	logS: -5.65913	SlogP: 6.15222	Reactive groups: 0

Topological Properties
Globularity: 0.0920912	Sterimol/B1: 3.2171	Sterimol/B2: 3.72201	Sterimol/B3: 3.89108
Sterimol/B4: 9.11088	Sterimol/L: 15.5344

Surface and Volume Properties
Accessible surface: 608.94	Positive charged surface: 355.597	Negative charged surface: 253.342	Volume: 359.375
Hydrophobic surface: 569.441	Hydrophilic surface: 39.499

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.