MMsINC Database Search


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MMsINC code: MMs00522668

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

O=C(N1C2CCCc3c2n(CC1)c1c3cc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C23H24N2O/c1-15-6-9-17(10-7-15)23(26)25-13-12-24-20-11-8-16(2)14-19(20)18-4-3-5-21(25)22(18)24/h6-11,14,21H,3-5,12-13H2,1-2H3/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.481 kcal/mol

Physical Properties
Molecular Weight: 344.458 g/mol	logS: -5.21384	SlogP: 5.15341	Reactive groups: 0

Topological Properties
Globularity: 0.036761	Sterimol/B1: 2.75448	Sterimol/B2: 3.29658	Sterimol/B3: 4.25896
Sterimol/B4: 7.61681	Sterimol/L: 17.9352

Surface and Volume Properties
Accessible surface: 596.797	Positive charged surface: 393.78	Negative charged surface: 198.081	Volume: 348.75
Hydrophobic surface: 570.516	Hydrophilic surface: 26.281

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.