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MMsINC code: MMs01165288

Type: Neutral
Formula: C₂₃H₃₅N₃O

SMILES:

O=C(N(Cc1n(ccc1)Cc1ccccc1C)CCCCC)NCCCC

InChI:

InChI=1/C23H35N3O/c1-4-6-10-16-26(23(27)24-15-7-5-2)19-22-14-11-17-25(22)18-21-13-9-8-12-20(21)3/h8-9,11-14,17H,4-7,10,15-16,18-19H2,1-3H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.8 kcal/mol

Physical Properties
Molecular Weight: 369.553 g/mol	logS: -4.60183	SlogP: 5.87952	Reactive groups: 0

Topological Properties
Globularity: 0.136896	Sterimol/B1: 2.36487	Sterimol/B2: 4.73002	Sterimol/B3: 5.31989
Sterimol/B4: 11.7476	Sterimol/L: 18.3767

Surface and Volume Properties
Accessible surface: 728.666	Positive charged surface: 513.113	Negative charged surface: 215.552	Volume: 409.125
Hydrophobic surface: 639.982	Hydrophilic surface: 88.684

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: 0

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Ions/Tautomers related molecules: no related molecules available.