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MMsINC code: MMs03019872

Type: Neutral
Formula: C₂₀H₂₆N₂O

SMILES:

O=C(NC(c1ccccc1)c1ccccc1)C(N(CC)CC)C

InChI:

InChI=1/C20H26N2O/c1-4-22(5-2)16(3)20(23)21-19(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16,19H,4-5H2,1-3H3,(H,21,23)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.3929 kcal/mol

Physical Properties
Molecular Weight: 310.441 g/mol	logS: -4.17843	SlogP: 3.718	Reactive groups: 0

Topological Properties
Globularity: 0.135912	Sterimol/B1: 3.04444	Sterimol/B2: 4.50272	Sterimol/B3: 4.73521
Sterimol/B4: 6.53597	Sterimol/L: 14.22

Surface and Volume Properties
Accessible surface: 592.379	Positive charged surface: 369.091	Negative charged surface: 223.289	Volume: 335
Hydrophobic surface: 509.863	Hydrophilic surface: 82.516

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03019873
PUBCHEM-ZINC03603984