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MMsINC code: MMs00984351

Type: Neutral
Formula: C₂₄H₂₇N₃O

SMILES:

O=C(N1CCN(CC1)Cc1ccccc1)C(n1cccc1)Cc1ccccc1

InChI:

InChI=1/C24H27N3O/c28-24(23(26-13-7-8-14-26)19-21-9-3-1-4-10-21)27-17-15-25(16-18-27)20-22-11-5-2-6-12-22/h1-14,23H,15-20H2/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.47 kcal/mol

Physical Properties
Molecular Weight: 373.5 g/mol	logS: -3.43269	SlogP: 3.97817	Reactive groups: 0

Topological Properties
Globularity: 0.109844	Sterimol/B1: 3.46776	Sterimol/B2: 3.47655	Sterimol/B3: 5.81333
Sterimol/B4: 7.0097	Sterimol/L: 17.0702

Surface and Volume Properties
Accessible surface: 643.087	Positive charged surface: 426.878	Negative charged surface: 216.209	Volume: 385.25
Hydrophobic surface: 601.303	Hydrophilic surface: 41.784

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00984352
CHEMDIV-ZINC05055345