MMsINC Database Search


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MMsINC code: MMs00701367

Type: Neutral
Formula: C₂₄H₂₆N₂O

SMILES:

O=C(Nc1ccc(N(CC)CC)cc1C)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C24H26N2O/c1-4-26(5-2)22-15-16-23(18(3)17-22)25-24(27)21-13-11-20(12-14-21)19-9-7-6-8-10-19/h6-17H,4-5H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.568 kcal/mol

Physical Properties
Molecular Weight: 358.485 g/mol	logS: -6.52355	SlogP: 5.76052	Reactive groups: 0

Topological Properties
Globularity: 0.0262991	Sterimol/B1: 2.0808	Sterimol/B2: 2.46387	Sterimol/B3: 5.12838
Sterimol/B4: 6.63412	Sterimol/L: 20.6169

Surface and Volume Properties
Accessible surface: 670.108	Positive charged surface: 393.931	Negative charged surface: 264.184	Volume: 378.625
Hydrophobic surface: 578.198	Hydrophilic surface: 91.91

Pharmacophoric Properties
Hydrogen bond donors: 1	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.