MMsINC Database Search


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MMsINC code: MMs00786167

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

O=C(N(Cc1ccccc1)Cc1ccccc1)c1cc(N(C)C)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.714 kcal/mol

Physical Properties
Molecular Weight: 344.458 g/mol	logS: -4.88823	SlogP: 5.128	Reactive groups: 0

Topological Properties
Globularity: 0.0829292	Sterimol/B1: 2.90577	Sterimol/B2: 4.82984	Sterimol/B3: 5.1482
Sterimol/B4: 7.74814	Sterimol/L: 15.6686

Surface and Volume Properties
Accessible surface: 617.186	Positive charged surface: 390.595	Negative charged surface: 226.591	Volume: 362.625
Hydrophobic surface: 579.732	Hydrophilic surface: 37.454

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

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.